1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide

C15H20N6O2 — CID 95149712

IUPAC1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide
SMILESCC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(=O)n(C)n1)CC2
InChIInChI=1S/C15H20N6O2/c1-9(2)14-18-17-12-6-4-10(8-21(12)14)16-15(23)11-5-7-13(22)20(3)19-11/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,23)/t10-/m1/s1
InChIKeyRLNPQULUWKLFRD-SNVBAGLBSA-N
MW316.37 g/mol
LogP0.24
Rot. Bonds3

About 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide (PubChem CID 95149712) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide
PubChem CID95149712
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide
SMILESCC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(=O)n(C)n1)CC2
InChIInChI=1S/C15H20N6O2/c1-9(2)14-18-17-12-6-4-10(8-21(12)14)16-15(23)11-5-7-13(22)20(3)19-11/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,23)/t10-/m1/s1
InChIKeyRLNPQULUWKLFRD-SNVBAGLBSA-N
XLogP0.24
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide (CID 95149712) is 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide is CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(=O)n(C)n1)CC2.
What is the InChIKey of 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide?
The InChIKey is RLNPQULUWKLFRD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-9(2)14-18-17-12-6-4-10(8-21(12)14)16-15(23)11-5-7-13(22)20(3)19-11/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,23)/t10-/m1/s1.
What are the key properties of 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 95149712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).