2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride

C16H26ClN7O — CID 52949389

IUPAC2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.Nc1ncc(CCCc2cn(CC(=O)NC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C16H25N7O.ClH/c17-16-18-9-13(20-16)7-4-8-14-10-23(22-21-14)11-15(24)19-12-5-2-1-3-6-12;/h9-10,12H,1-8,11H2,(H,19,24)(H3,17,18,20);1H
InChIKeyWKLJHUNACJOGEH-UHFFFAOYSA-N
MW367.89 g/mol
LogP1.63
Rot. Bonds7

About 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride

2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride (PubChem CID 52949389) has the molecular formula C16H26ClN7O and a molecular weight of 367.89 g/mol. Its IUPAC name is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride
PubChem CID52949389
Molecular FormulaC16H26ClN7O
Molecular Weight367.89 g/mol
Exact Mass367.19
IUPAC Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.Nc1ncc(CCCc2cn(CC(=O)NC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C16H25N7O.ClH/c17-16-18-9-13(20-16)7-4-8-14-10-23(22-21-14)11-15(24)19-12-5-2-1-3-6-12;/h9-10,12H,1-8,11H2,(H,19,24)(H3,17,18,20);1H
InChIKeyWKLJHUNACJOGEH-UHFFFAOYSA-N
XLogP1.63
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.89
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride?
The IUPAC name of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride (CID 52949389) is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride?
The canonical SMILES for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride is Cl.Nc1ncc(CCCc2cn(CC(=O)NC3CCCCC3)nn2)[nH]1.
What is the InChIKey of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride?
The InChIKey is WKLJHUNACJOGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O.ClH/c17-16-18-9-13(20-16)7-4-8-14-10-23(22-21-14)11-15(24)19-12-5-2-1-3-6-12;/h9-10,12H,1-8,11H2,(H,19,24)(H3,17,18,20);1H.
What are the key properties of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride?
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride has a molecular weight of 367.89 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 52949389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).