6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H15N5O — CID 1242943

IUPAC6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3cccnc3)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C18H15N5O/c1-12-15(10-13-6-3-2-4-7-13)17(24)23-18(20-12)21-16(22-23)14-8-5-9-19-11-14/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeySEAMIQJVHPGWDQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.38
Rot. Bonds3

About 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1242943) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1242943
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3cccnc3)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C18H15N5O/c1-12-15(10-13-6-3-2-4-7-13)17(24)23-18(20-12)21-16(22-23)14-8-5-9-19-11-14/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeySEAMIQJVHPGWDQ-UHFFFAOYSA-N
XLogP2.38
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1242943) is 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(-c3cccnc3)[nH]n2c(=O)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SEAMIQJVHPGWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-15(10-13-6-3-2-4-7-13)17(24)23-18(20-12)21-16(22-23)14-8-5-9-19-11-14/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 317.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1242943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).