(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone

C17H17N7O — CID 71932991

IUPAC(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone
SMILESCc1cccc(-n2ncc(C(=O)N3CCc4nnc(N)cc4C3)n2)c1
InChIInChI=1S/C17H17N7O/c1-11-3-2-4-13(7-11)24-19-9-15(22-24)17(25)23-6-5-14-12(10-23)8-16(18)21-20-14/h2-4,7-9H,5-6,10H2,1H3,(H2,18,21)
InChIKeyPGLCACJNYBTODI-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.15
Rot. Bonds2

About (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone (PubChem CID 71932991) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone
PubChem CID71932991
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone
SMILESCc1cccc(-n2ncc(C(=O)N3CCc4nnc(N)cc4C3)n2)c1
InChIInChI=1S/C17H17N7O/c1-11-3-2-4-13(7-11)24-19-9-15(22-24)17(25)23-6-5-14-12(10-23)8-16(18)21-20-14/h2-4,7-9H,5-6,10H2,1H3,(H2,18,21)
InChIKeyPGLCACJNYBTODI-UHFFFAOYSA-N
XLogP1.15
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone?
The IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone (CID 71932991) is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone?
The canonical SMILES for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone is Cc1cccc(-n2ncc(C(=O)N3CCc4nnc(N)cc4C3)n2)c1.
What is the InChIKey of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone?
The InChIKey is PGLCACJNYBTODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11-3-2-4-13(7-11)24-19-9-15(22-24)17(25)23-6-5-14-12(10-23)8-16(18)21-20-14/h2-4,7-9H,5-6,10H2,1H3,(H2,18,21).
What are the key properties of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone?
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone has a molecular weight of 335.37 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 71932991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).