3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine

C9H19N5S — CID 28915799

IUPAC3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine
SMILESCC(C)Cc1nnc(SCCCN)n1N
InChIInChI=1S/C9H19N5S/c1-7(2)6-8-12-13-9(14(8)11)15-5-3-4-10/h7H,3-6,10-11H2,1-2H3
InChIKeyGMQQICYHGBZSTO-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.63
Rot. Bonds6

About 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine

3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine (PubChem CID 28915799) has the molecular formula C9H19N5S and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine
PubChem CID28915799
Molecular FormulaC9H19N5S
Molecular Weight229.35 g/mol
Exact Mass229.14
IUPAC Name3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine
SMILESCC(C)Cc1nnc(SCCCN)n1N
InChIInChI=1S/C9H19N5S/c1-7(2)6-8-12-13-9(14(8)11)15-5-3-4-10/h7H,3-6,10-11H2,1-2H3
InChIKeyGMQQICYHGBZSTO-UHFFFAOYSA-N
XLogP0.63
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine 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

3-(3-aminopropylsulfanyl)-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-4-amine
CID 28915821
3-(3-aminopropylsulfanyl)-5-butyl-1,2,4-triazol-4-amine
CID 28915797
3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine
CID 28915819
2-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine
CID 39243475
3-[(4-aminophenyl)methylsulfanyl]-5-(2-methylpropyl)-1,2,4-triazol-4-amine
CID 28915638
4-amino-3-(3-aminopropylsulfanyl)-1,2,4-triazin-5-one
CID 28915719
2-[[4-amino-5-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29070822
3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine
CID 28916016
3-(2-aminoethylsulfanyl)-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine
CID 28916028
5-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-ol
CID 63313044
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
CID 86262381
3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine
CID 92931154

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine (CID 28915799) is 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine is CC(C)Cc1nnc(SCCCN)n1N.
What is the InChIKey of 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine?
The InChIKey is GMQQICYHGBZSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5S/c1-7(2)6-8-12-13-9(14(8)11)15-5-3-4-10/h7H,3-6,10-11H2,1-2H3.
What are the key properties of 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine?
3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine has a molecular weight of 229.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 28915799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).