4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine

C12H17N5S — CID 113368229

IUPAC4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(Sc2nnc(C)n2C)ccn1
InChIInChI=1S/C12H17N5S/c1-4-6-13-11-8-10(5-7-14-11)18-12-16-15-9(2)17(12)3/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChIKeySIPYMVLVQRNQAM-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.49
Rot. Bonds5

About 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine (PubChem CID 113368229) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine
PubChem CID113368229
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(Sc2nnc(C)n2C)ccn1
InChIInChI=1S/C12H17N5S/c1-4-6-13-11-8-10(5-7-14-11)18-12-16-15-9(2)17(12)3/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChIKeySIPYMVLVQRNQAM-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-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

2-methyl-3-[[2-(propylamino)-4-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107785267
8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80888691
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine
CID 102926949
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 104605019
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80889019
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103060195
N-[[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluorophenyl]methyl]propan-1-amine
CID 106534160
N-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylphenyl]methyl]ethanamine
CID 63814904
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 63537729
N-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylphenyl]methyl]propan-2-amine
CID 63812975
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 63533066
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80888160

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine (CID 113368229) is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine is CCCNc1cc(Sc2nnc(C)n2C)ccn1.
What is the InChIKey of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine?
The InChIKey is SIPYMVLVQRNQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-6-13-11-8-10(5-7-14-11)18-12-16-15-9(2)17(12)3/h5,7-8H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine?
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 113368229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).