Chemical ID: 4881810

CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NNC(=O)c2ccncc2
Chemical ID:
4881810
Name [?]:
N'-[1-(1-allyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)ethyl]pyridine-4-carbohydrazide
SMILES [?]:
CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NNC(=O)c2ccncc2
InChi [?]:
InChI=1/C15H15N5O4/c1-3-8-20-14(23)11(13(22)17-15(20)24)9(2)18-19-12(21)10-4-6-16-7-5-10/h3-7,18H,1,8H2,2H3,(H,19,21)(H,17,22,24)
InChi Info:
AuxInfo=1/1/N:14,1,13,20,24,21,23,12,2,19,3,17,4,10,7,22,6,15,16,9,18,5,11,8/E:(4,5)(6,7)/rA:24nCCCCONCONCOCCCNNCOCCCNCC/rB:s1;w2;s3;d4;s4;s6;d7;s7;s3s9;d10;s9;s12;d13;s2;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N5O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.57101
Area:527.494
Solvation:-4.61633
Coulombic:-78.5441
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:329.311
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:0.15
LogP (Chemaxon):-1.41

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