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

C11H18N6O2 — CID 55115240

IUPAC1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C11H18N6O2/c1-16(2)9(18)7-3-5-17(6-4-7)10(19)8-13-11(12)15-14-8/h7H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyBYQXROOVXGQPKR-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.67
Rot. Bonds2

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

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 55115240) 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,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID55115240
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C11H18N6O2/c1-16(2)9(18)7-3-5-17(6-4-7)10(19)8-13-11(12)15-14-8/h7H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyBYQXROOVXGQPKR-UHFFFAOYSA-N
XLogP-0.67
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 43051664
2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 53598093
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56917479
1-[4-(1-piperidinyl)butanoyl]-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 72873031
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
cyclobutyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196457
N-methyl-3-(piperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide hydrochloride
CID 132308932
1-Cyclopropanecarbonyl-4-[(5-ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 124043116
cyclobutyl-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124043117
1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 126831327
[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 139353801
Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate
CID 593545

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (CID 55115240) is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=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,N-dimethylpiperidine-4-carboxamide?
The InChIKey is BYQXROOVXGQPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-16(2)9(18)7-3-5-17(6-4-7)10(19)8-13-11(12)15-14-8/h7H,3-6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 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,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 55115240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).