[5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone

C21H15Cl2N5O — CID 142770552

IUPAC[5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)n1nc(-c2ccccn2)nc1NCc1ccccc1
InChIInChI=1S/C21H15Cl2N5O/c22-15-9-6-10-16(23)18(15)20(29)28-21(25-13-14-7-2-1-3-8-14)26-19(27-28)17-11-4-5-12-24-17/h1-12H,13H2,(H,25,26,27)
InChIKeyONKTYOADOGFWCT-UHFFFAOYSA-N
MW424.29 g/mol
LogP4.95
Rot. Bonds5

About [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone

[5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone (PubChem CID 142770552) has the molecular formula C21H15Cl2N5O and a molecular weight of 424.29 g/mol. Its IUPAC name is [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone
PubChem CID142770552
Molecular FormulaC21H15Cl2N5O
Molecular Weight424.29 g/mol
Exact Mass423.07
IUPAC Name[5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)n1nc(-c2ccccn2)nc1NCc1ccccc1
InChIInChI=1S/C21H15Cl2N5O/c22-15-9-6-10-16(23)18(15)20(29)28-21(25-13-14-7-2-1-3-8-14)26-19(27-28)17-11-4-5-12-24-17/h1-12H,13H2,(H,25,26,27)
InChIKeyONKTYOADOGFWCT-UHFFFAOYSA-N
XLogP4.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorophenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]methanone
CID 142770594
(2-aminophenyl)-[5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]methanone
CID 142770586
[5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 142770546
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-chlorophenyl)methanone
CID 3296582
[5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone
CID 3513394
[5-(benzylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone
CID 3637759
[5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-phenylmethanone
CID 5227786
[5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(3-methylphenyl)methanone
CID 71253521
(2-chlorophenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]methanone
CID 142770542
(2-chlorophenyl)-[5-[(4-chlorophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]methanone
CID 4637248
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
CID 3922831
[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone
CID 7333806

Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone (CID 142770552) is [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone is O=C(c1c(Cl)cccc1Cl)n1nc(-c2ccccn2)nc1NCc1ccccc1.
What is the InChIKey of [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone?
The InChIKey is ONKTYOADOGFWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5O/c22-15-9-6-10-16(23)18(15)20(29)28-21(25-13-14-7-2-1-3-8-14)26-19(27-28)17-11-4-5-12-24-17/h1-12H,13H2,(H,25,26,27).
What are the key properties of [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone?
[5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone has a molecular weight of 424.29 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 142770552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).