(2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

C18H17ClN6O — CID 90452398

IUPAC(2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccc(C(=O)N2Cc3nnn(-c4cnccn4)c3C[C@H]2C)c1Cl
InChIInChI=1S/C18H17ClN6O/c1-11-4-3-5-13(17(11)19)18(26)24-10-14-15(8-12(24)2)25(23-22-14)16-9-20-6-7-21-16/h3-7,9,12H,8,10H2,1-2H3/t12-/m1/s1
InChIKeyVPRPDMNNPIDLHK-GFCCVEGCSA-N
MW368.83 g/mol
LogP2.61
Rot. Bonds2

About (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

(2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 90452398) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID90452398
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name(2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccc(C(=O)N2Cc3nnn(-c4cnccn4)c3C[C@H]2C)c1Cl
InChIInChI=1S/C18H17ClN6O/c1-11-4-3-5-13(17(11)19)18(26)24-10-14-15(8-12(24)2)25(23-22-14)16-9-20-6-7-21-16/h3-7,9,12H,8,10H2,1-2H3/t12-/m1/s1
InChIKeyVPRPDMNNPIDLHK-GFCCVEGCSA-N
XLogP2.61
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

(2-fluoro-3-methylphenyl)-[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 118893953
(2-chloro-3-methylphenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90452413
[2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86271307
(2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 90452380
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 172767119
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-4-methyl-1-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90409555
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
(2,3-dichlorophenyl)-[3-(5-fluoro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 118950178
(2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone
CID 75469753
(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one
CID 29256098

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 90452398) is (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is Cc1cccc(C(=O)N2Cc3nnn(-c4cnccn4)c3C[C@H]2C)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is VPRPDMNNPIDLHK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-11-4-3-5-13(17(11)19)18(26)24-10-14-15(8-12(24)2)25(23-22-14)16-9-20-6-7-21-16/h3-7,9,12H,8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
(2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 368.83 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylphenyl)-[(6R)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 90452398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).