1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide

C11H18N6O2 — CID 62794182

IUPAC1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C11H18N6O2/c1-2-13-9(18)7-3-5-17(6-4-7)10(19)8-14-11(12)16-15-8/h7H,2-6H2,1H3,(H,13,18)(H3,12,14,15,16)
InChIKeyRCWDCANXEKLCAV-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.62
Rot. Bonds3

About 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide (PubChem CID 62794182) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide
PubChem CID62794182
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C11H18N6O2/c1-2-13-9(18)7-3-5-17(6-4-7)10(19)8-14-11(12)16-15-8/h7H,2-6H2,1H3,(H,13,18)(H3,12,14,15,16)
InChIKeyRCWDCANXEKLCAV-UHFFFAOYSA-N
XLogP-0.62
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62793518
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylic acid
CID 62793007
(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane
CID 144535044
(3-amino-1H-1,2,4-triazol-5-yl)-(azocan-1-yl)methanone
CID 62807162
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
1-[4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 55114953
(3-amino-1H-1,2,4-triazol-5-yl)-(4-methylsulfanylazepan-1-yl)methanone
CID 114237048
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide
CID 62806690
(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62806655

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide (CID 62794182) is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1.
What is the InChIKey of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide?
The InChIKey is RCWDCANXEKLCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-2-13-9(18)7-3-5-17(6-4-7)10(19)8-14-11(12)16-15-8/h7H,2-6H2,1H3,(H,13,18)(H3,12,14,15,16).
What are the key properties of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide?
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 62794182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).