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

C15H13ClN4 — CID 114514610

IUPAC7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccccc2)nc2nc(C3CC3)nn2c1Cl
InChIInChI=1S/C15H13ClN4/c1-9-12(10-5-3-2-4-6-10)17-15-18-14(11-7-8-11)19-20(15)13(9)16/h2-6,11H,7-8H2,1H3
InChIKeyOYMOORZQPMDJEW-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.63
Rot. Bonds2

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

7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 114514610) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID114514610
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccccc2)nc2nc(C3CC3)nn2c1Cl
InChIInChI=1S/C15H13ClN4/c1-9-12(10-5-3-2-4-6-10)17-15-18-14(11-7-8-11)19-20(15)13(9)16/h2-6,11H,7-8H2,1H3
InChIKeyOYMOORZQPMDJEW-UHFFFAOYSA-N
XLogP3.63
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114514628
2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 104846648
2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114514282
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630680
2-cyclopropyl-8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 46833824
4-cyclopropyl-3-methyl-2-phenylpyridine
CID 152579101
2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812
5-chloro-4-methyl-1-pentan-3-yl-3-phenylpyrazole
CID 113460245
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline
CID 80971058
4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
CID 63404866
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 114514610) is 7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(-c2ccccc2)nc2nc(C3CC3)nn2c1Cl.
What is the InChIKey of 7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OYMOORZQPMDJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-9-12(10-5-3-2-4-6-10)17-15-18-14(11-7-8-11)19-20(15)13(9)16/h2-6,11H,7-8H2,1H3.
What are the key properties of 7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 284.75 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclopropyl-6-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 114514610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).