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

C15H28ClN5O — CID 163340459

IUPAC2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride
SMILESCNC(=O)Cc1nc(C2CCC(N)CC2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C15H27N5O.ClH/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);1H
InChIKeyXHGMPDCZFNKOTI-UHFFFAOYSA-N
MW329.88 g/mol
LogP1.73
Rot. Bonds3

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

2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride (PubChem CID 163340459) has the molecular formula C15H28ClN5O and a molecular weight of 329.88 g/mol. Its IUPAC name is 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride
PubChem CID163340459
Molecular FormulaC15H28ClN5O
Molecular Weight329.88 g/mol
Exact Mass329.20
IUPAC Name2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride
SMILESCNC(=O)Cc1nc(C2CCC(N)CC2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C15H27N5O.ClH/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);1H
InChIKeyXHGMPDCZFNKOTI-UHFFFAOYSA-N
XLogP1.73
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride with MolForge

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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
4-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 80681996
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-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80682784
N-cyclohexyl-3-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
CID 95321522
N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
CID 95321523
2-[(2-Methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 106779932

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride (CID 163340459) is 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride is CNC(=O)Cc1nc(C2CCC(N)CC2)n(C(C)(C)C)n1.Cl.
What is the InChIKey of 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride?
The InChIKey is XHGMPDCZFNKOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O.ClH/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);1H.
What are the key properties of 2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride?
2-[5-(4-aminocyclohexyl)-1-tert-butyl-1,2,4-triazol-3-yl]-N-methylacetamide;hydrochloride has a molecular weight of 329.88 g/mol, XLogP of 1.73, 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;hydrochloride is sourced from PubChem (CID 163340459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).