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

C16H22N6O2 — CID 86772498

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NC2CCc3nnc(C(C)C)n3C2)c1C
InChIInChI=1S/C16H22N6O2/c1-8(2)14-20-19-12-6-5-11(7-22(12)14)17-15(23)13-9(3)10(4)18-21-16(13)24/h8,11H,5-7H2,1-4H3,(H,17,23)(H,21,24)
InChIKeyDHJLOYFATXOOPM-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.85
Rot. Bonds3

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

3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide (PubChem CID 86772498) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide
PubChem CID86772498
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NC2CCc3nnc(C(C)C)n3C2)c1C
InChIInChI=1S/C16H22N6O2/c1-8(2)14-20-19-12-6-5-11(7-22(12)14)17-15(23)13-9(3)10(4)18-21-16(13)24/h8,11H,5-7H2,1-4H3,(H,17,23)(H,21,24)
InChIKeyDHJLOYFATXOOPM-UHFFFAOYSA-N
XLogP0.85
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide (CID 86772498) is 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NC2CCc3nnc(C(C)C)n3C2)c1C.
What is the InChIKey of 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide?
The InChIKey is DHJLOYFATXOOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-8(2)14-20-19-12-6-5-11(7-22(12)14)17-15(23)13-9(3)10(4)18-21-16(13)24/h8,11H,5-7H2,1-4H3,(H,17,23)(H,21,24).
What are the key properties of 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide?
3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-oxo-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 86772498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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