N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide

C12H20N6O2 — CID 118946460

IUPACN-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESNCCCC(=O)N1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C12H20N6O2/c13-5-1-2-10(19)18-6-3-9(4-7-18)16-12(20)11-14-8-15-17-11/h8-9H,1-7,13H2,(H,16,20)(H,14,15,17)
InChIKeyDGUKTZAWDFXSJO-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.74
Rot. Bonds5

About N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide

N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 118946460) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID118946460
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESNCCCC(=O)N1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C12H20N6O2/c13-5-1-2-10(19)18-6-3-9(4-7-18)16-12(20)11-14-8-15-17-11/h8-9H,1-7,13H2,(H,16,20)(H,14,15,17)
InChIKeyDGUKTZAWDFXSJO-UHFFFAOYSA-N
XLogP-0.74
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-cyclopentyl-1H-1,2,4-triazole-3-carboxamide
CID 847898
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 50970582
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56917479
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
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
(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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide (CID 118946460) is N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide is NCCCC(=O)N1CCC(NC(=O)c2ncn[nH]2)CC1.
What is the InChIKey of N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is DGUKTZAWDFXSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c13-5-1-2-10(19)18-6-3-9(4-7-18)16-12(20)11-14-8-15-17-11/h8-9H,1-7,13H2,(H,16,20)(H,14,15,17).
What are the key properties of N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminobutanoyl)piperidin-4-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 118946460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).