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

C10H17N5O — CID 175949386

IUPAC4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide
SMILESCc1nnc(C)n1C1CCN(C(N)=O)CC1
InChIInChI=1S/C10H17N5O/c1-7-12-13-8(2)15(7)9-3-5-14(6-4-9)10(11)16/h9H,3-6H2,1-2H3,(H2,11,16)
InChIKeyCQZIBCKAIZIQRP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.61
Rot. Bonds1

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

4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide (PubChem CID 175949386) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide
PubChem CID175949386
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide
SMILESCc1nnc(C)n1C1CCN(C(N)=O)CC1
InChIInChI=1S/C10H17N5O/c1-7-12-13-8(2)15(7)9-3-5-14(6-4-9)10(11)16/h9H,3-6H2,1-2H3,(H2,11,16)
InChIKeyCQZIBCKAIZIQRP-UHFFFAOYSA-N
XLogP0.61
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide (CID 175949386) is 4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide is Cc1nnc(C)n1C1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The InChIKey is CQZIBCKAIZIQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7-12-13-8(2)15(7)9-3-5-14(6-4-9)10(11)16/h9H,3-6H2,1-2H3,(H2,11,16).
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide?
4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 175949386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).