4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C8H11N7S — CID 80886795

IUPAC4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCSc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C8H11N7S/c1-2-3-16-8-13-6(9)12-7(14-8)15-5-10-4-11-15/h4-5H,2-3H2,1H3,(H2,9,12,13,14)
InChIKeySFRAOBNQUQZDAA-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.54
Rot. Bonds4

About 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80886795) has the molecular formula C8H11N7S and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80886795
Molecular FormulaC8H11N7S
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC Name4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCSc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C8H11N7S/c1-2-3-16-8-13-6(9)12-7(14-8)15-5-10-4-11-15/h4-5H,2-3H2,1H3,(H2,9,12,13,14)
InChIKeySFRAOBNQUQZDAA-UHFFFAOYSA-N
XLogP0.54
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-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

methyl 2-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886617
4-butylsulfanyl-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80884142
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887405
N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765891
4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107784918
2-N-(4-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80784608
methyl 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80923175
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83223656
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80832325

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80886795) is 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCCSc1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is SFRAOBNQUQZDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7S/c1-2-3-16-8-13-6(9)12-7(14-8)15-5-10-4-11-15/h4-5H,2-3H2,1H3,(H2,9,12,13,14).
What are the key properties of 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 237.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80886795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).