3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide

C11H17N9O — CID 80775795

IUPAC3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NCCC(N)=O)nc(-n2cncn2)n1
InChIInChI=1S/C11H17N9O/c1-2-4-14-9-17-10(15-5-3-8(12)21)19-11(18-9)20-7-13-6-16-20/h6-7H,2-5H2,1H3,(H2,12,21)(H2,14,15,17,18,19)
InChIKeyVPGLSOIOXOCPFK-UHFFFAOYSA-N
MW291.32 g/mol
LogP-0.44
Rot. Bonds8

About 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide

3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 80775795) has the molecular formula C11H17N9O and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID80775795
Molecular FormulaC11H17N9O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NCCC(N)=O)nc(-n2cncn2)n1
InChIInChI=1S/C11H17N9O/c1-2-4-14-9-17-10(15-5-3-8(12)21)19-11(18-9)20-7-13-6-16-20/h6-7H,2-5H2,1H3,(H2,12,21)(H2,14,15,17,18,19)
InChIKeyVPGLSOIOXOCPFK-UHFFFAOYSA-N
XLogP-0.44
TPSA136.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
2-N-(3-methylbutyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80771756
2-N-(2-methylsulfanylethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80839383
2-N-(2-methoxyethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765193
2-N-pentan-3-yl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80750141
2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215293
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
CID 80814266
N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80766913
4-N-methyl-4-N-propan-2-yl-2-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80764201
2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80788657
2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide
CID 106240091

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide (CID 80775795) is 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide is CCCNc1nc(NCCC(N)=O)nc(-n2cncn2)n1.
What is the InChIKey of 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is VPGLSOIOXOCPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9O/c1-2-4-14-9-17-10(15-5-3-8(12)21)19-11(18-9)20-7-13-6-16-20/h6-7H,2-5H2,1H3,(H2,12,21)(H2,14,15,17,18,19).
What are the key properties of 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide?
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 291.32 g/mol, XLogP of -0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 80775795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).