N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide

C14H19N7O — CID 133339116

IUPACN-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCCC(Cn3cncn3)C2)nn1
InChIInChI=1S/C14H19N7O/c1-15-14(22)12-4-5-13(19-18-12)20-6-2-3-11(7-20)8-21-10-16-9-17-21/h4-5,9-11H,2-3,6-8H2,1H3,(H,15,22)
InChIKeyXHCOXMITEYMWEK-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.34
Rot. Bonds4

About N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide

N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 133339116) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID133339116
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCCC(Cn3cncn3)C2)nn1
InChIInChI=1S/C14H19N7O/c1-15-14(22)12-4-5-13(19-18-12)20-6-2-3-11(7-20)8-21-10-16-9-17-21/h4-5,9-11H,2-3,6-8H2,1H3,(H,15,22)
InChIKeyXHCOXMITEYMWEK-UHFFFAOYSA-N
XLogP0.34
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide (CID 133339116) is N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCCC(Cn3cncn3)C2)nn1.
What is the InChIKey of N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is XHCOXMITEYMWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-15-14(22)12-4-5-13(19-18-12)20-6-2-3-11(7-20)8-21-10-16-9-17-21/h4-5,9-11H,2-3,6-8H2,1H3,(H,15,22).
What are the key properties of N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide?
N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133339116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).