(2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone

C16H14Cl2N6O — CID 123699237

IUPAC(2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCC2C(C1)N=NN2c1cnccn1
InChIInChI=1S/C16H14Cl2N6O/c17-11-3-1-2-10(15(11)18)16(25)23-7-4-13-12(9-23)21-22-24(13)14-8-19-5-6-20-14/h1-3,5-6,8,12-13H,4,7,9H2
InChIKeyHLBHHGXWMZCDFO-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.25
Rot. Bonds2

About (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone

(2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 123699237) has the molecular formula C16H14Cl2N6O and a molecular weight of 377.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID123699237
Molecular FormulaC16H14Cl2N6O
Molecular Weight377.24 g/mol
Exact Mass376.06
IUPAC Name(2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCC2C(C1)N=NN2c1cnccn1
InChIInChI=1S/C16H14Cl2N6O/c17-11-3-1-2-10(15(11)18)16(25)23-7-4-13-12(9-23)21-22-24(13)14-8-19-5-6-20-14/h1-3,5-6,8,12-13H,4,7,9H2
InChIKeyHLBHHGXWMZCDFO-UHFFFAOYSA-N
XLogP3.25
TPSA74.05 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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833
2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974959
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 113226241
(4-bromo-3-methylpiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 114683388
(3-bromopiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 80659980
(2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone
CID 134686745
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158
(2,3-dichlorophenyl)-pyrazin-2-ylmethanone
CID 62790951

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone (CID 123699237) is (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCC2C(C1)N=NN2c1cnccn1.
What is the InChIKey of (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is HLBHHGXWMZCDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6O/c17-11-3-1-2-10(15(11)18)16(25)23-7-4-13-12(9-23)21-22-24(13)14-8-19-5-6-20-14/h1-3,5-6,8,12-13H,4,7,9H2.
What are the key properties of (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone?
(2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 377.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 123699237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).