4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C12H22N6O — CID 46988181

IUPAC4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(N)CC2)nn1C(C)C
InChIInChI=1S/C12H22N6O/c1-8(2)18-9(3)14-11(16-18)15-12(19)17-6-4-10(13)5-7-17/h8,10H,4-7,13H2,1-3H3,(H,15,16,19)
InChIKeyLGDMFDZIHSYSSD-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.12
Rot. Bonds2

About 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 46988181) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID46988181
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(N)CC2)nn1C(C)C
InChIInChI=1S/C12H22N6O/c1-8(2)18-9(3)14-11(16-18)15-12(19)17-6-4-10(13)5-7-17/h8,10H,4-7,13H2,1-3H3,(H,15,16,19)
InChIKeyLGDMFDZIHSYSSD-UHFFFAOYSA-N
XLogP1.12
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 46988181) is 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1nc(NC(=O)N2CCC(N)CC2)nn1C(C)C.
What is the InChIKey of 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is LGDMFDZIHSYSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-8(2)18-9(3)14-11(16-18)15-12(19)17-6-4-10(13)5-7-17/h8,10H,4-7,13H2,1-3H3,(H,15,16,19).
What are the key properties of 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46988181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).