3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine

C13H15N5S — CID 79817585

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1cc2nnc(-c3c(N)sc(C)c3C)n2c(C)n1
InChIInChI=1S/C13H15N5S/c1-6-5-10-16-17-13(18(10)9(4)15-6)11-7(2)8(3)19-12(11)14/h5H,14H2,1-4H3
InChIKeyRWCFVUZPSCSFHJ-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.67
Rot. Bonds1

About 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine

3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine (PubChem CID 79817585) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine
PubChem CID79817585
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1cc2nnc(-c3c(N)sc(C)c3C)n2c(C)n1
InChIInChI=1S/C13H15N5S/c1-6-5-10-16-17-13(18(10)9(4)15-6)11-7(2)8(3)19-12(11)14/h5H,14H2,1-4H3
InChIKeyRWCFVUZPSCSFHJ-UHFFFAOYSA-N
XLogP2.67
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine with MolForge

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-methylaniline
CID 79817280
2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-difluoroaniline
CID 79817684
4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine
CID 24694789
4-bromo-2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79817917
4-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-fluoroaniline
CID 107795301
3-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 42631944
1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine
CID 79817588
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
CID 79817683
5,7-dimethyl-3-(4-nitrophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 42631947
7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428590
6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine
CID 79817486
3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 103999459

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine (CID 79817585) is 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine is Cc1cc2nnc(-c3c(N)sc(C)c3C)n2c(C)n1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine?
The InChIKey is RWCFVUZPSCSFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-6-5-10-16-17-13(18(10)9(4)15-6)11-7(2)8(3)19-12(11)14/h5H,14H2,1-4H3.
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine?
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine has a molecular weight of 273.37 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 79817585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).