1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide

C17H20N6O2 — CID 51090865

IUPAC1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)c1nc(-c2ccccc2NC(=O)C2=NN(C)C(=O)CC2)n[nH]1
InChIInChI=1S/C17H20N6O2/c1-10(2)15-19-16(21-20-15)11-6-4-5-7-12(11)18-17(25)13-8-9-14(24)23(3)22-13/h4-7,10H,8-9H2,1-3H3,(H,18,25)(H,19,20,21)
InChIKeyODUMCVOOZSTPEW-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.14
Rot. Bonds4

About 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 51090865) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID51090865
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)c1nc(-c2ccccc2NC(=O)C2=NN(C)C(=O)CC2)n[nH]1
InChIInChI=1S/C17H20N6O2/c1-10(2)15-19-16(21-20-15)11-6-4-5-7-12(11)18-17(25)13-8-9-14(24)23(3)22-13/h4-7,10H,8-9H2,1-3H3,(H,18,25)(H,19,20,21)
InChIKeyODUMCVOOZSTPEW-UHFFFAOYSA-N
XLogP2.14
TPSA103.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide (CID 51090865) is 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide is CC(C)c1nc(-c2ccccc2NC(=O)C2=NN(C)C(=O)CC2)n[nH]1.
What is the InChIKey of 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ODUMCVOOZSTPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10(2)15-19-16(21-20-15)11-6-4-5-7-12(11)18-17(25)13-8-9-14(24)23(3)22-13/h4-7,10H,8-9H2,1-3H3,(H,18,25)(H,19,20,21).
What are the key properties of 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 51090865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).