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

C14H18N6O2 — CID 86772302

IUPAC3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NC2CCc3nnc(C)n3C2)c1C
InChIInChI=1S/C14H18N6O2/c1-7-8(2)16-19-14(22)12(7)13(21)15-10-4-5-11-18-17-9(3)20(11)6-10/h10H,4-6H2,1-3H3,(H,15,21)(H,19,22)
InChIKeyVKYLEJPDYLCADT-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.03
Rot. Bonds2

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

3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 86772302) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID86772302
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NC2CCc3nnc(C)n3C2)c1C
InChIInChI=1S/C14H18N6O2/c1-7-8(2)16-19-14(22)12(7)13(21)15-10-4-5-11-18-17-9(3)20(11)6-10/h10H,4-6H2,1-3H3,(H,15,21)(H,19,22)
InChIKeyVKYLEJPDYLCADT-UHFFFAOYSA-N
XLogP0.03
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide (CID 86772302) is 3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NC2CCc3nnc(C)n3C2)c1C.
What is the InChIKey of 3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is VKYLEJPDYLCADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-7-8(2)16-19-14(22)12(7)13(21)15-10-4-5-11-18-17-9(3)20(11)6-10/h10H,4-6H2,1-3H3,(H,15,21)(H,19,22).
What are the key properties of 3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide?
3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 86772302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).