N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide

C11H19N5O2 — CID 55251521

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide
SMILESNC1CCC(OCCNC(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C11H19N5O2/c12-8-1-3-9(4-2-8)18-6-5-13-11(17)10-7-14-16-15-10/h7-9H,1-6,12H2,(H,13,17)(H,14,15,16)
InChIKeySNYJHRBDLKYPFF-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.18
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide (PubChem CID 55251521) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide
PubChem CID55251521
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide
SMILESNC1CCC(OCCNC(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C11H19N5O2/c12-8-1-3-9(4-2-8)18-6-5-13-11(17)10-7-14-16-15-10/h7-9H,1-6,12H2,(H,13,17)(H,14,15,16)
InChIKeySNYJHRBDLKYPFF-UHFFFAOYSA-N
XLogP-0.18
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide
CID 63869966
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide
CID 63871479
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459
N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide
CID 47338201
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-propyl-2H-triazole-4-carboxamide
CID 54219715
4-amino-N-(2-cyclopentyloxyethyl)-1H-pyrazole-5-carboxamide
CID 55260674
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide (CID 55251521) is N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide is NC1CCC(OCCNC(=O)c2cn[nH]n2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide?
The InChIKey is SNYJHRBDLKYPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c12-8-1-3-9(4-2-8)18-6-5-13-11(17)10-7-14-16-15-10/h7-9H,1-6,12H2,(H,13,17)(H,14,15,16).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 55251521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).