(4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C17H14ClN5O — CID 53482946

IUPAC(4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCn2c(nnc2-c2ccccn2)C1
InChIInChI=1S/C17H14ClN5O/c18-13-6-4-12(5-7-13)17(24)22-9-10-23-15(11-22)20-21-16(23)14-3-1-2-8-19-14/h1-8H,9-11H2
InChIKeyHABWZKZTEVHDTE-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.65
Rot. Bonds2

About (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 53482946) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID53482946
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name(4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCn2c(nnc2-c2ccccn2)C1
InChIInChI=1S/C17H14ClN5O/c18-13-6-4-12(5-7-13)17(24)22-9-10-23-15(11-22)20-21-16(23)14-3-1-2-8-19-14/h1-8H,9-11H2
InChIKeyHABWZKZTEVHDTE-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 53482946) is (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCn2c(nnc2-c2ccccn2)C1.
What is the InChIKey of (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is HABWZKZTEVHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-13-6-4-12(5-7-13)17(24)22-9-10-23-15(11-22)20-21-16(23)14-3-1-2-8-19-14/h1-8H,9-11H2.
What are the key properties of (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 339.79 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 53482946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).