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

C12H10ClN5O — CID 102918288

IUPAC5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H10ClN5O/c1-19-9-5-3-2-4-8(9)16-11-6-10(13)17-12-14-7-15-18(11)12/h2-7,16H,1H3
InChIKeyHYWUENVCFFGSBQ-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.53
Rot. Bonds3

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

5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918288) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918288
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H10ClN5O/c1-19-9-5-3-2-4-8(9)16-11-6-10(13)17-12-14-7-15-18(11)12/h2-7,16H,1H3
InChIKeyHYWUENVCFFGSBQ-UHFFFAOYSA-N
XLogP2.53
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433978
5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107637055
N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918270
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918380
5-chloro-N-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918268
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192366
5-chloro-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918665
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918776
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide
CID 59014098
2-[4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]acetonitrile
CID 102918740
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918288) is 5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1Nc1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HYWUENVCFFGSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-19-9-5-3-2-4-8(9)16-11-6-10(13)17-12-14-7-15-18(11)12/h2-7,16H,1H3.
What are the key properties of 5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 275.70 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).