5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H16ClN5 — CID 103076318

IUPAC5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1CN(C)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C15H16ClN5/c1-10-6-4-5-7-12(10)8-20(3)14-11(2)13(16)19-15-17-9-18-21(14)15/h4-7,9H,8H2,1-3H3
InChIKeyHZMWKZYTFFSHOI-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.03
Rot. Bonds3

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

5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076318) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076318
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1CN(C)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C15H16ClN5/c1-10-6-4-5-7-12(10)8-20(3)14-11(2)13(16)19-15-17-9-18-21(14)15/h4-7,9H,8H2,1-3H3
InChIKeyHZMWKZYTFFSHOI-UHFFFAOYSA-N
XLogP3.03
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076152
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol
CID 103076772
5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076140
5-chloro-6-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076067
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol
CID 103076453
N-[[3-(dimethylamino)phenyl]methyl]-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133385828
5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076778
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180
4-chloro-N-methyl-N-[(2-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864242
N-(2-bromo-3-methylphenyl)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076829
5-chloro-7-ethylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077048

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076318) is 5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccccc1CN(C)c1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HZMWKZYTFFSHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-10-6-4-5-7-12(10)8-20(3)14-11(2)13(16)19-15-17-9-18-21(14)15/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 301.78 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).