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

C8H13N5O — CID 63653476

IUPAC(4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESNC1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C8H13N5O/c9-6-1-3-13(4-2-6)8(14)7-10-5-11-12-7/h5-6H,1-4,9H2,(H,10,11,12)
InChIKeyHMVOXCGYFDBBMR-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.63
Rot. Bonds1

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

(4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 63653476) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID63653476
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESNC1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C8H13N5O/c9-6-1-3-13(4-2-6)8(14)7-10-5-11-12-7/h5-6H,1-4,9H2,(H,10,11,12)
InChIKeyHMVOXCGYFDBBMR-UHFFFAOYSA-N
XLogP-0.63
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-aminopiperidin-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-cyclopentyl-1H-1,2,4-triazole-3-carboxamide
CID 847898
US9346814, Cmpd No 37 Example 42
CID 89704955
1-[4-(1-piperidinyl)butanoyl]-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 72873031
N-Cyclododecyl-1H-1,2,4-triazole-3-carboxamide
CID 602855
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 164637518
1-[(3S)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 177661895
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129261091
(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 145336263
1H-[1,2,4]Triazole-3-carboxylic acid (2,2,6,6-tetramethylpiperidin-4-yl)amide
CID 707222
N-cycloheptyl-1H-1,2,4-triazole-3-carboxamide
CID 1500057
N-((1r,4r)-4-aminocyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 71276489

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 63653476) is (4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is NC1CCN(C(=O)c2ncn[nH]2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is HMVOXCGYFDBBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-6-1-3-13(4-2-6)8(14)7-10-5-11-12-7/h5-6H,1-4,9H2,(H,10,11,12).
What are the key properties of (4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 195.23 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 63653476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).