N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H12ClN5O — CID 743057

IUPACN-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Nc2cc(C)nc3ncnn23)cc1Cl
InChIInChI=1S/C13H12ClN5O/c1-8-5-12(19-13(17-8)15-7-16-19)18-9-3-4-11(20-2)10(14)6-9/h3-7,18H,1-2H3
InChIKeyHYMQZEMAJHCLJA-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.84
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 743057) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID743057
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Nc2cc(C)nc3ncnn23)cc1Cl
InChIInChI=1S/C13H12ClN5O/c1-8-5-12(19-13(17-8)15-7-16-19)18-9-3-4-11(20-2)10(14)6-9/h3-7,18H,1-2H3
InChIKeyHYMQZEMAJHCLJA-UHFFFAOYSA-N
XLogP2.84
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-phenylamino)-3-(4-methoxy-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327828
N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71595131
N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 522990
5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1460771
N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263415
N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308644
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 11383650
5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 53322058
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 54754515
5-N-(2-chloro-4-methoxyphenyl)-6-ethyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 54754516
5-N-(2-chloro-4-methoxyphenyl)-5-N-methyl-7-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 56659947
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 56659948

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 743057) is N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(Nc2cc(C)nc3ncnn23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HYMQZEMAJHCLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-8-5-12(19-13(17-8)15-7-16-19)18-9-3-4-11(20-2)10(14)6-9/h3-7,18H,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.73 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 743057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).