5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H14ClN5S — CID 103076949

IUPAC5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC1CCCSC1
InChIInChI=1S/C11H14ClN5S/c1-7-9(12)16-11-13-6-14-17(11)10(7)15-8-3-2-4-18-5-8/h6,8,15H,2-5H2,1H3
InChIKeyQTJTVHLSDLKWFY-UHFFFAOYSA-N
MW283.79 g/mol
LogP2.39
Rot. Bonds2

About 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076949) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076949
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC1CCCSC1
InChIInChI=1S/C11H14ClN5S/c1-7-9(12)16-11-13-6-14-17(11)10(7)15-8-3-2-4-18-5-8/h6,8,15H,2-5H2,1H3
InChIKeyQTJTVHLSDLKWFY-UHFFFAOYSA-N
XLogP2.39
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-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-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 103076746
5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114156779
5-chloro-N-(1,1-dioxothiolan-3-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076191
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076296
5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798377
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazepane
CID 103076328
5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075853
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076494
5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114128814
3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 103076747
5-chloro-6-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076067

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076949) is 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NC1CCCSC1.
What is the InChIKey of 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QTJTVHLSDLKWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-7-9(12)16-11-13-6-14-17(11)10(7)15-8-3-2-4-18-5-8/h6,8,15H,2-5H2,1H3.
What are the key properties of 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 283.79 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).