7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H10N4 — CID 58662406

IUPAC7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccccc2)cnc2ncnn12
InChIInChI=1S/C12H10N4/c1-9-11(10-5-3-2-4-6-10)7-13-12-14-8-15-16(9)12/h2-8H,1H3
InChIKeyMNKYJAHHAMBAPJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.10
Rot. Bonds1

About 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 58662406) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID58662406
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccccc2)cnc2ncnn12
InChIInChI=1S/C12H10N4/c1-9-11(10-5-3-2-4-6-10)7-13-12-14-8-15-16(9)12/h2-8H,1H3
InChIKeyMNKYJAHHAMBAPJ-UHFFFAOYSA-N
XLogP2.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46098728
6-(4-methoxyphenyl)-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097578
(4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 24720138
6-(4-methoxyphenyl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46097569
7-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46098769
N-methyl-2-(5-methyl-4-phenylpyrazol-1-yl)ethanamine
CID 82512556
(4-phenylphenyl) 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 51109872
N-(2-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 16585086
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene
CID 11265235
7-methyl-3-phenylimidazo[1,2-b][1,2,4]triazine
CID 10987529
1-methyl-4-phenylisoquinoline;dihydrochloride
CID 70514561
6-phenyl-7-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46098419

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 58662406) is 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(-c2ccccc2)cnc2ncnn12.
What is the InChIKey of 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MNKYJAHHAMBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-11(10-5-3-2-4-6-10)7-13-12-14-8-15-16(9)12/h2-8H,1H3.
What are the key properties of 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 210.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58662406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).