4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide

C16H24N6O — CID 51083679

IUPAC4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCc2nnc3ccccn23)CC1
InChIInChI=1S/C16H24N6O/c1-13(2)12-20-7-9-21(10-8-20)16(23)17-11-15-19-18-14-5-3-4-6-22(14)15/h3-6,13H,7-12H2,1-2H3,(H,17,23)
InChIKeyABRSEUACQKJKCU-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.21
Rot. Bonds4

About 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide

4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 51083679) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID51083679
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCc2nnc3ccccn23)CC1
InChIInChI=1S/C16H24N6O/c1-13(2)12-20-7-9-21(10-8-20)16(23)17-11-15-19-18-14-5-3-4-6-22(14)15/h3-6,13H,7-12H2,1-2H3,(H,17,23)
InChIKeyABRSEUACQKJKCU-UHFFFAOYSA-N
XLogP1.21
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
4-acetyl-N'-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119115966
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
CID 78909463
2-(azepan-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 131897084
2,3-dimethyl-4-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)but-2-enoic acid
CID 76992625
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 97242314
3-(2-oxo-1-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 78866152

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 51083679) is 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide is CC(C)CN1CCN(C(=O)NCc2nnc3ccccn23)CC1.
What is the InChIKey of 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ABRSEUACQKJKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13(2)12-20-7-9-21(10-8-20)16(23)17-11-15-19-18-14-5-3-4-6-22(14)15/h3-6,13H,7-12H2,1-2H3,(H,17,23).
What are the key properties of 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide?
4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51083679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).