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

C16H25N7O — CID 52949390

IUPAC2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide
SMILESNc1ncc(CCCc2cn(CC(=O)NC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C16H25N7O/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)
InChIKeyAMGSUNXSLDUDIT-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.21
Rot. Bonds7

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

2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide (PubChem CID 52949390) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide
PubChem CID52949390
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide
SMILESNc1ncc(CCCc2cn(CC(=O)NC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C16H25N7O/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)
InChIKeyAMGSUNXSLDUDIT-UHFFFAOYSA-N
XLogP1.21
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.21
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?
The IUPAC name of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide (CID 52949390) is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide is 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?
The InChIKey is AMGSUNXSLDUDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/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).
What are the key properties of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide?
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 331.42 g/mol, XLogP of 1.21, 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 is sourced from PubChem (CID 52949390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).