5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine

C7H16N6 — CID 107146750

IUPAC5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine
SMILESCCCC[C@H](N)c1nnc(N)n1N
InChIInChI=1S/C7H16N6/c1-2-3-4-5(8)6-11-12-7(9)13(6)10/h5H,2-4,8,10H2,1H3,(H2,9,12)/t5-/m0/s1
InChIKeyACVUJAXKKZUABW-YFKPBYRVSA-N
MW184.25 g/mol
LogP-0.24
Rot. Bonds4

About 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine

5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine (PubChem CID 107146750) has the molecular formula C7H16N6 and a molecular weight of 184.25 g/mol. Its IUPAC name is 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine
PubChem CID107146750
Molecular FormulaC7H16N6
Molecular Weight184.25 g/mol
Exact Mass184.14
IUPAC Name5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine
SMILESCCCC[C@H](N)c1nnc(N)n1N
InChIInChI=1S/C7H16N6/c1-2-3-4-5(8)6-11-12-7(9)13(6)10/h5H,2-4,8,10H2,1H3,(H2,9,12)/t5-/m0/s1
InChIKeyACVUJAXKKZUABW-YFKPBYRVSA-N
XLogP-0.24
TPSA108.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine
CID 104899966
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
5-heptyl-1,2,4-triazole-3,4-diamine
CID 79006366
5-undecyl-1,2,4-triazole-3,4-diamine
CID 574678
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pentan-1-amine
CID 43470331
1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62722130
1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62709915
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62720541
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine (CID 107146750) is 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine is CCCC[C@H](N)c1nnc(N)n1N.
What is the InChIKey of 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine?
The InChIKey is ACVUJAXKKZUABW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H16N6/c1-2-3-4-5(8)6-11-12-7(9)13(6)10/h5H,2-4,8,10H2,1H3,(H2,9,12)/t5-/m0/s1.
What are the key properties of 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine?
5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine has a molecular weight of 184.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 107146750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).