4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide

C16H28N4O — CID 64511192

IUPAC4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCC(C(C)(C)C)CC2)n[nH]1
InChIInChI=1S/C16H28N4O/c1-11-17-14(19-18-11)10-20(5)15(21)12-6-8-13(9-7-12)16(2,3)4/h12-13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyXFAAQNCUZFOCDW-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.92
Rot. Bonds3

About 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide

4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 64511192) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID64511192
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCC(C(C)(C)C)CC2)n[nH]1
InChIInChI=1S/C16H28N4O/c1-11-17-14(19-18-11)10-20(5)15(21)12-6-8-13(9-7-12)16(2,3)4/h12-13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyXFAAQNCUZFOCDW-UHFFFAOYSA-N
XLogP2.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide (CID 64511192) is 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide is Cc1nc(CN(C)C(=O)C2CCC(C(C)(C)C)CC2)n[nH]1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is XFAAQNCUZFOCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11-17-14(19-18-11)10-20(5)15(21)12-6-8-13(9-7-12)16(2,3)4/h12-13H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide?
4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64511192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).