2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide

C15H27N5O — CID 157011121

IUPAC2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(C2CCC(N)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-15(2,3)20-14(10-5-7-11(16)8-6-10)18-12(19-20)9-13(21)17-4/h10-11H,5-9,16H2,1-4H3,(H,17,21)
InChIKeyHIGJIMGBZOPWDU-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.31
Rot. Bonds3

About 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide

2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide (PubChem CID 157011121) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide
PubChem CID157011121
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(C2CCC(N)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-15(2,3)20-14(10-5-7-11(16)8-6-10)18-12(19-20)9-13(21)17-4/h10-11H,5-9,16H2,1-4H3,(H,17,21)
InChIKeyHIGJIMGBZOPWDU-UHFFFAOYSA-N
XLogP1.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
CID 53599636
2-[1-tert-butyl-5-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2,4-triazol-3-yl]acetamide
CID 164637690
2-[5-(trans-4-aminocyclohexyl)-2'-methyl-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazol-3-yl]-N-methylacetamide hydrochloride
CID 157012789
2-[5-(4-aminocyclohexyl)-1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride
CID 163340499
N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide
CID 121315589
3-[(5-Cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one
CID 64280160
N-[2-(1-butyl-3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 72877936
4-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 80681996
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 80682351
2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80682533
2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 80682607
2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 80682666

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide (CID 157011121) is 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide is CNC(=O)Cc1nc(C2CCC(N)CC2)n(C(C)(C)C)n1.
What is the InChIKey of 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide?
The InChIKey is HIGJIMGBZOPWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-15(2,3)20-14(10-5-7-11(16)8-6-10)18-12(19-20)9-13(21)17-4/h10-11H,5-9,16H2,1-4H3,(H,17,21).
What are the key properties of 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide?
2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide has a molecular weight of 293.42 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 157011121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).