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

C14H21N5 — CID 51354584

IUPAC4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ncc(CCCn2cc(CC3CCCC3)nn2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-5-12(4-1)8-14-10-19(18-17-14)7-3-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
InChIKeyUKHIUWLEJYNXSB-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.37
Rot. Bonds6

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

4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole (PubChem CID 51354584) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
PubChem CID51354584
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ncc(CCCn2cc(CC3CCCC3)nn2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-5-12(4-1)8-14-10-19(18-17-14)7-3-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
InChIKeyUKHIUWLEJYNXSB-UHFFFAOYSA-N
XLogP2.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole?
The IUPAC name of 4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole (CID 51354584) is 4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole.
What is the SMILES notation for 4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole?
The canonical SMILES for 4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole is c1ncc(CCCn2cc(CC3CCCC3)nn2)[nH]1.
What is the InChIKey of 4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole?
The InChIKey is UKHIUWLEJYNXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-5-12(4-1)8-14-10-19(18-17-14)7-3-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16).
What are the key properties of 4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole?
4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole has a molecular weight of 259.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole is sourced from PubChem (CID 51354584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).