4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole

C15H23N5 — CID 51354300

IUPAC4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ncc(CCCn2cc(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C15H23N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h10-13H,1-9H2,(H,16,17)
InChIKeyWNDPQJQMFPORJY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds6

About 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole

4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole (PubChem CID 51354300) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
PubChem CID51354300
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ncc(CCCn2cc(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C15H23N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h10-13H,1-9H2,(H,16,17)
InChIKeyWNDPQJQMFPORJY-UHFFFAOYSA-N
XLogP2.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole?
The IUPAC name of 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole (CID 51354300) is 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole.
What is the SMILES notation for 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole?
The canonical SMILES for 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole is c1ncc(CCCn2cc(CC3CCCCC3)nn2)[nH]1.
What is the InChIKey of 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole?
The InChIKey is WNDPQJQMFPORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h10-13H,1-9H2,(H,16,17).
What are the key properties of 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole?
4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole has a molecular weight of 273.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole is sourced from PubChem (CID 51354300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).