N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide

C18H25N7O — CID 56712352

IUPACN-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCc1ccc(N2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)nn1
InChIInChI=1S/C18H25N7O/c1-13-6-7-17(22-20-13)24-10-8-15(9-11-24)25-12-16(21-23-25)18(26)19-14-4-2-3-5-14/h6-7,12,14-15H,2-5,8-11H2,1H3,(H,19,26)
InChIKeyKGEXMAXEPVXPLC-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.89
Rot. Bonds4

About N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide

N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 56712352) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID56712352
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC NameN-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCc1ccc(N2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)nn1
InChIInChI=1S/C18H25N7O/c1-13-6-7-17(22-20-13)24-10-8-15(9-11-24)25-12-16(21-23-25)18(26)19-14-4-2-3-5-14/h6-7,12,14-15H,2-5,8-11H2,1H3,(H,19,26)
InChIKeyKGEXMAXEPVXPLC-UHFFFAOYSA-N
XLogP1.89
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide
CID 95219826
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide
CID 166428131
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42419244
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide (CID 56712352) is N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide is Cc1ccc(N2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)nn1.
What is the InChIKey of N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is KGEXMAXEPVXPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-13-6-7-17(22-20-13)24-10-8-15(9-11-24)25-12-16(21-23-25)18(26)19-14-4-2-3-5-14/h6-7,12,14-15H,2-5,8-11H2,1H3,(H,19,26).
What are the key properties of N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide?
N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 56712352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).