N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide

C12H21N5O — CID 79115940

IUPACN-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCN(C(=O)Cn1cncn1)C1CCC(N)CC1
InChIInChI=1S/C12H21N5O/c1-2-17(11-5-3-10(13)4-6-11)12(18)7-16-9-14-8-15-16/h8-11H,2-7,13H2,1H3
InChIKeyFUFNNMHUTAJXKT-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.40
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide

N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 79115940) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID79115940
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCN(C(=O)Cn1cncn1)C1CCC(N)CC1
InChIInChI=1S/C12H21N5O/c1-2-17(11-5-3-10(13)4-6-11)12(18)7-16-9-14-8-15-16/h8-11H,2-7,13H2,1H3
InChIKeyFUFNNMHUTAJXKT-UHFFFAOYSA-N
XLogP0.40
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide (CID 79115940) is N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide is CCN(C(=O)Cn1cncn1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FUFNNMHUTAJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-17(11-5-3-10(13)4-6-11)12(18)7-16-9-14-8-15-16/h8-11H,2-7,13H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide?
N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 79115940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).