N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H12ClN5 — CID 103076180

IUPACN-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCc1ccccc1
InChIInChI=1S/C13H12ClN5/c1-9-11(14)18-13-16-8-17-19(13)12(9)15-7-10-5-3-2-4-6-10/h2-6,8,15H,7H2,1H3
InChIKeyGQQXBDNUSHQXKR-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.70
Rot. Bonds3

About N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076180) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076180
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC NameN-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCc1ccccc1
InChIInChI=1S/C13H12ClN5/c1-9-11(14)18-13-16-8-17-19(13)12(9)15-7-10-5-3-2-4-6-10/h2-6,8,15H,7H2,1H3
InChIKeyGQQXBDNUSHQXKR-UHFFFAOYSA-N
XLogP2.70
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076180) is N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NCc1ccccc1.
What is the InChIKey of N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GQQXBDNUSHQXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-9-11(14)18-13-16-8-17-19(13)12(9)15-7-10-5-3-2-4-6-10/h2-6,8,15H,7H2,1H3.
What are the key properties of N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 273.73 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).