7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one

C6H5ClN4O — CID 136934030

IUPAC7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESCc1nc2cc(Cl)[nH]c(=O)n2n1
InChIInChI=1S/C6H5ClN4O/c1-3-8-5-2-4(7)9-6(12)11(5)10-3/h2H,1H3,(H,9,12)
InChIKeyJKBSJKFQJQWPMW-UHFFFAOYSA-N
MW184.59 g/mol
LogP0.38
Rot. Bonds

About 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one

7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (PubChem CID 136934030) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
PubChem CID136934030
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESCc1nc2cc(Cl)[nH]c(=O)n2n1
InChIInChI=1S/C6H5ClN4O/c1-3-8-5-2-4(7)9-6(12)11(5)10-3/h2H,1H3,(H,9,12)
InChIKeyJKBSJKFQJQWPMW-UHFFFAOYSA-N
XLogP0.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The IUPAC name of 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (CID 136934030) is 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The canonical SMILES for 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is Cc1nc2cc(Cl)[nH]c(=O)n2n1.
What is the InChIKey of 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The InChIKey is JKBSJKFQJQWPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c1-3-8-5-2-4(7)9-6(12)11(5)10-3/h2H,1H3,(H,9,12).
What are the key properties of 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one has a molecular weight of 184.59 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 136934030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).