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

C13H13ClN4O2 — CID 53193599

IUPAC(5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C13H13ClN4O2/c1-20-11-3-2-9(14)6-10(11)13(19)17-4-5-18-8-15-16-12(18)7-17/h2-3,6,8H,4-5,7H2,1H3
InChIKeyLDMLFYYNUABWDS-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.60
Rot. Bonds2

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

(5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 53193599) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID53193599
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name(5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C13H13ClN4O2/c1-20-11-3-2-9(14)6-10(11)13(19)17-4-5-18-8-15-16-12(18)7-17/h2-3,6,8H,4-5,7H2,1H3
InChIKeyLDMLFYYNUABWDS-UHFFFAOYSA-N
XLogP1.60
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 53193599) is (5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is COc1ccc(Cl)cc1C(=O)N1CCn2cnnc2C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is LDMLFYYNUABWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-20-11-3-2-9(14)6-10(11)13(19)17-4-5-18-8-15-16-12(18)7-17/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 292.73 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 53193599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).