5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine

C14H13N5O — CID 72920353

IUPAC5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine
SMILESCOc1ccccc1-n1ncnc1-c1cnc(C)nc1
InChIInChI=1S/C14H13N5O/c1-10-15-7-11(8-16-10)14-17-9-18-19(14)12-5-3-4-6-13(12)20-2/h3-9H,1-2H3
InChIKeyASGNNKHUUMNRIX-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.04
Rot. Bonds3

About 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine

5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine (PubChem CID 72920353) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine
PubChem CID72920353
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine
SMILESCOc1ccccc1-n1ncnc1-c1cnc(C)nc1
InChIInChI=1S/C14H13N5O/c1-10-15-7-11(8-16-10)14-17-9-18-19(14)12-5-3-4-6-13(12)20-2/h3-9H,1-2H3
InChIKeyASGNNKHUUMNRIX-UHFFFAOYSA-N
XLogP2.04
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 70266988
(2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 97136227
N,N-dimethyl-4-[2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]aniline
CID 867209
5-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237182
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 66438831
5-bromo-2-(2-methoxyphenyl)pyridazin-3-one
CID 134828443
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210
(3S)-3-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 97131003
4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353799
10-(2-methoxyphenyl)-3,7-dimethyl-5H-pyrido[2,3-b][1,8]naphthyridine
CID 59572478

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine?
The IUPAC name of 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine (CID 72920353) is 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine?
The canonical SMILES for 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine is COc1ccccc1-n1ncnc1-c1cnc(C)nc1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine?
The InChIKey is ASGNNKHUUMNRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10-15-7-11(8-16-10)14-17-9-18-19(14)12-5-3-4-6-13(12)20-2/h3-9H,1-2H3.
What are the key properties of 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine?
5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine has a molecular weight of 267.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylpyrimidine is sourced from PubChem (CID 72920353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).