3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C12H22N6O — CID 46997513

IUPAC3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC(N(C)C)C2)nn1C
InChIInChI=1S/C12H22N6O/c1-9-13-11(15-17(9)4)14-12(19)18-7-5-6-10(8-18)16(2)3/h10H,5-8H2,1-4H3,(H,14,15,19)
InChIKeyUUVSQIDPGDCHTB-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.68
Rot. Bonds2

About 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 46997513) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID46997513
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC(N(C)C)C2)nn1C
InChIInChI=1S/C12H22N6O/c1-9-13-11(15-17(9)4)14-12(19)18-7-5-6-10(8-18)16(2)3/h10H,5-8H2,1-4H3,(H,14,15,19)
InChIKeyUUVSQIDPGDCHTB-UHFFFAOYSA-N
XLogP0.68
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45236235
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 47252889
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
1-[3-(4-Ethylpiperazin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53503175
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 71892917
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
4-(diethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 72153018
N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 75443339
N-propan-2-yl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740466
Sdccgsbi-0662600.P001
CID 134789236
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
CID 110194762

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 46997513) is 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1nc(NC(=O)N2CCCC(N(C)C)C2)nn1C.
What is the InChIKey of 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is UUVSQIDPGDCHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9-13-11(15-17(9)4)14-12(19)18-7-5-6-10(8-18)16(2)3/h10H,5-8H2,1-4H3,(H,14,15,19).
What are the key properties of 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46997513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).