N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

C16H23N7O — CID 90601280

IUPACN-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C16H23N7O/c1-12(2)9-18-16(24)13-5-7-22(8-6-13)14-3-4-15(21-20-14)23-11-17-10-19-23/h3-4,10-13H,5-9H2,1-2H3,(H,18,24)
InChIKeyFAJOONWVANIYBK-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.05
Rot. Bonds5

About N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90601280) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID90601280
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C16H23N7O/c1-12(2)9-18-16(24)13-5-7-22(8-6-13)14-3-4-15(21-20-14)23-11-17-10-19-23/h3-4,10-13H,5-9H2,1-2H3,(H,18,24)
InChIKeyFAJOONWVANIYBK-UHFFFAOYSA-N
XLogP1.05
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclopropylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601619
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601582
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601633
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30363605
N-(1H-indol-3-ylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601612
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601532
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601322
1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 90601636
N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601542
N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601345
1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 50842295

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90601280) is N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is FAJOONWVANIYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-12(2)9-18-16(24)13-5-7-22(8-6-13)14-3-4-15(21-20-14)23-11-17-10-19-23/h3-4,10-13H,5-9H2,1-2H3,(H,18,24).
What are the key properties of N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90601280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).