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

C13H12ClN5O — CID 102918380

IUPAC5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2cc(Cl)nc3ncnn23)cc1
InChIInChI=1S/C13H12ClN5O/c1-20-10-4-2-9(3-5-10)7-15-12-6-11(14)18-13-16-8-17-19(12)13/h2-6,8,15H,7H2,1H3
InChIKeyOPCSGHWRINDBMV-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.40
Rot. Bonds4

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

5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918380) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918380
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2cc(Cl)nc3ncnn23)cc1
InChIInChI=1S/C13H12ClN5O/c1-20-10-4-2-9(3-5-10)7-15-12-6-11(14)18-13-16-8-17-19(12)13/h2-6,8,15H,7H2,1H3
InChIKeyOPCSGHWRINDBMV-UHFFFAOYSA-N
XLogP2.40
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918526
N-[(3,5-dimethoxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46096732
5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919005
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
5-chloro-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918665
1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methoxypropan-2-ol
CID 102918881
N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919154
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919006
5-chloro-N-(3-phenoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918753
5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094547
5-chloro-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918380) is 5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CNc2cc(Cl)nc3ncnn23)cc1.
What is the InChIKey of 5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OPCSGHWRINDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-20-10-4-2-9(3-5-10)7-15-12-6-11(14)18-13-16-8-17-19(12)13/h2-6,8,15H,7H2,1H3.
What are the key properties of 5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.73 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).