(2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

C19H17Cl2N5O — CID 90408904

IUPAC(2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)C3C)n1
InChIInChI=1S/C19H17Cl2N5O/c1-11-5-3-8-16(22-11)26-15-9-10-25(12(2)18(15)23-24-26)19(27)13-6-4-7-14(20)17(13)21/h3-8,12H,9-10H2,1-2H3
InChIKeyVHSNSHISDWBRJP-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.04
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

(2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 90408904) has the molecular formula C19H17Cl2N5O and a molecular weight of 402.29 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID90408904
Molecular FormulaC19H17Cl2N5O
Molecular Weight402.29 g/mol
Exact Mass401.08
IUPAC Name(2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)C3C)n1
InChIInChI=1S/C19H17Cl2N5O/c1-11-5-3-8-16(22-11)26-15-9-10-25(12(2)18(15)23-24-26)19(27)13-6-4-7-14(20)17(13)21/h3-8,12H,9-10H2,1-2H3
InChIKeyVHSNSHISDWBRJP-UHFFFAOYSA-N
XLogP4.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 90408904) is (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is Cc1cccc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)C3C)n1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is VHSNSHISDWBRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O/c1-11-5-3-8-16(22-11)26-15-9-10-25(12(2)18(15)23-24-26)19(27)13-6-4-7-14(20)17(13)21/h3-8,12H,9-10H2,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
(2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 402.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 90408904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).