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

C16H14Cl2N6O — CID 67970624

IUPAC(2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCn1ccc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)n1
InChIInChI=1S/C16H14Cl2N6O/c1-22-6-5-12(21-22)15-20-19-13-9-23(7-8-24(13)15)16(25)10-3-2-4-11(17)14(10)18/h2-6H,7-9H2,1H3
InChIKeyAHGJHLDDGBIVIE-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.64
Rot. Bonds2

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

(2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 67970624) has the molecular formula C16H14Cl2N6O and a molecular weight of 377.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID67970624
Molecular FormulaC16H14Cl2N6O
Molecular Weight377.24 g/mol
Exact Mass376.06
IUPAC Name(2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCn1ccc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)n1
InChIInChI=1S/C16H14Cl2N6O/c1-22-6-5-12(21-22)15-20-19-13-9-23(7-8-24(13)15)16(25)10-3-2-4-11(17)14(10)18/h2-6H,7-9H2,1H3
InChIKeyAHGJHLDDGBIVIE-UHFFFAOYSA-N
XLogP2.64
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 67970624) is (2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cn1ccc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)n1.
What is the InChIKey of (2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is AHGJHLDDGBIVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6O/c1-22-6-5-12(21-22)15-20-19-13-9-23(7-8-24(13)15)16(25)10-3-2-4-11(17)14(10)18/h2-6H,7-9H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 377.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[3-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 67970624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).