N-cycloheptyl-2-(triazol-1-yl)acetamide

C11H18N4O — CID 154733961

IUPACN-cycloheptyl-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC1CCCCCC1
InChIInChI=1S/C11H18N4O/c16-11(9-15-8-7-12-14-15)13-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,13,16)
InChIKeyZMHOWRBGMYKYBU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds3

About N-cycloheptyl-2-(triazol-1-yl)acetamide

N-cycloheptyl-2-(triazol-1-yl)acetamide (PubChem CID 154733961) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cycloheptyl-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(triazol-1-yl)acetamide
PubChem CID154733961
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-cycloheptyl-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC1CCCCCC1
InChIInChI=1S/C11H18N4O/c16-11(9-15-8-7-12-14-15)13-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,13,16)
InChIKeyZMHOWRBGMYKYBU-UHFFFAOYSA-N
XLogP1.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-2-(triazol-1-yl)acetamide
CID 105059311
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 127417394
N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
CID 103805775
N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 118779238
N-(2-aminocyclopentyl)-2-(triazol-1-yl)acetamide
CID 115348385
N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide
CID 106995465
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
CID 54901941
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(triazol-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(triazol-1-yl)acetamide (CID 154733961) is N-cycloheptyl-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(triazol-1-yl)acetamide?
The InChIKey is ZMHOWRBGMYKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(9-15-8-7-12-14-15)13-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,13,16).
What are the key properties of N-cycloheptyl-2-(triazol-1-yl)acetamide?
N-cycloheptyl-2-(triazol-1-yl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 154733961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).