5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H13ClN4O — CID 142324727

IUPAC5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2ccccc2Cl)nc2nc[nH]n2c1=O
InChIInChI=1S/C14H13ClN4O/c1-8(2)11-12(9-5-3-4-6-10(9)15)18-14-16-7-17-19(14)13(11)20/h3-8H,1-2H3,(H,16,17,18)
InChIKeyRHRALKFWGWQMPQ-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.86
Rot. Bonds2

About 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 142324727) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID142324727
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2ccccc2Cl)nc2nc[nH]n2c1=O
InChIInChI=1S/C14H13ClN4O/c1-8(2)11-12(9-5-3-4-6-10(9)15)18-14-16-7-17-19(14)13(11)20/h3-8H,1-2H3,(H,16,17,18)
InChIKeyRHRALKFWGWQMPQ-UHFFFAOYSA-N
XLogP2.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-s-triazolo(1,5-a)pyrimidin-7-ol
CID 202792
2-amino-6-[(2,3-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 145996522
2-[(2-chlorobenzyl)sulfanyl]-6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457489
2-[(2-chloro-6-fluorobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1265655
2-amino-6-[(3-chlorophenyl)methyl]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389636
2-amino-6-[(3-chlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389637
2-amino-6-[(3-chlorophenyl)methyl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389641
6-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389660
2-amino-5-butyl-6-[(3-chlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389710
2-amino-6-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389845
2-amino-6-[(3-chlorophenyl)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389980
2-[(2,6-Dichlorobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 667280

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 142324727) is 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2ccccc2Cl)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RHRALKFWGWQMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-8(2)11-12(9-5-3-4-6-10(9)15)18-14-16-7-17-19(14)13(11)20/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.74 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 142324727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).