N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H12ClN5S — CID 17481591

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2ccc(Cl)s2)n2ncnc2n1
InChIInChI=1S/C12H12ClN5S/c1-8-5-11(18-12(16-8)14-7-15-18)17(2)6-9-3-4-10(13)19-9/h3-5,7H,6H2,1-2H3
InChIKeyXPXXKLPLYCUUND-UHFFFAOYSA-N
MW293.78 g/mol
LogP2.78
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 17481591) has the molecular formula C12H12ClN5S and a molecular weight of 293.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID17481591
Molecular FormulaC12H12ClN5S
Molecular Weight293.78 g/mol
Exact Mass293.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2ccc(Cl)s2)n2ncnc2n1
InChIInChI=1S/C12H12ClN5S/c1-8-5-11(18-12(16-8)14-7-15-18)17(2)6-9-3-4-10(13)19-9/h3-5,7H,6H2,1-2H3
InChIKeyXPXXKLPLYCUUND-UHFFFAOYSA-N
XLogP2.78
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[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

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 17481591) is N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)Cc2ccc(Cl)s2)n2ncnc2n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XPXXKLPLYCUUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5S/c1-8-5-11(18-12(16-8)14-7-15-18)17(2)6-9-3-4-10(13)19-9/h3-5,7H,6H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.78 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 17481591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).