(4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

C9H14N4O — CID 4187782

IUPAC(4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C9H14N4O/c1-7-2-4-13(5-3-7)9(14)8-10-6-11-12-8/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyZTNGVSOYCIXWMI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.68
Rot. Bonds1

About (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

(4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 4187782) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID4187782
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCC1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C9H14N4O/c1-7-2-4-13(5-3-7)9(14)8-10-6-11-12-8/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyZTNGVSOYCIXWMI-UHFFFAOYSA-N
XLogP0.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
1H-[1,2,4]Triazole-3-carboxylic acid (4-methylcyclohexyl)amide
CID 1250680
1-[4-(1-piperidinyl)butanoyl]-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 72873031
N-methyl-3-(piperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide hydrochloride
CID 132308932
[(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129256194
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129260771
[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129260882
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129261091
[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 139353801
(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 145336263
Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate
CID 593545

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 4187782) is (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is CC1CCN(C(=O)c2ncn[nH]2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is ZTNGVSOYCIXWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-2-4-13(5-3-7)9(14)8-10-6-11-12-8/h6-7H,2-5H2,1H3,(H,10,11,12).
What are the key properties of (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 4187782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).