4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole

C13H19N5 — CID 51354585

IUPAC4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESc1ncc(CCn2cc(CC3CCCC3)nn2)[nH]1
InChIInChI=1S/C13H19N5/c1-2-4-11(3-1)7-13-9-18(17-16-13)6-5-12-8-14-10-15-12/h8-11H,1-7H2,(H,14,15)
InChIKeySBAPLMPNRPQJSQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.98
Rot. Bonds5

About 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole

4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole (PubChem CID 51354585) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
PubChem CID51354585
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESc1ncc(CCn2cc(CC3CCCC3)nn2)[nH]1
InChIInChI=1S/C13H19N5/c1-2-4-11(3-1)7-13-9-18(17-16-13)6-5-12-8-14-10-15-12/h8-11H,1-7H2,(H,14,15)
InChIKeySBAPLMPNRPQJSQ-UHFFFAOYSA-N
XLogP1.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole
CID 9794398
4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 9815231
4-[3-(1h-Imidazol-4-yl)propyl]piperidine
CID 10330240
4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354300
(1S,2S)-2-(1H-Imidazol-4-yl)-cyclopentylamine
CID 10240978
4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 10329450
(S)-4-(Pyrrolidin-3-ylmethyl)-1H-imidazole
CID 44367568
4-(cyclohexylmethyl)-1H-imidazole
CID 9793921
4-((3R,4R)-4-methylpyrrolidin-3-yl)-1H-imidazole
CID 9815232
4-[2-(1H-Imidazol-4-yl)ethyl]piperidine
CID 10176370
5-[(pyrrolidin-3-yl)methyl]-1H-imidazole
CID 11819221
5-(pyrrolidin-3-yl)-1H-imidazole
CID 19041233

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The IUPAC name of 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole (CID 51354585) is 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole.
What is the SMILES notation for 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The canonical SMILES for 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole is c1ncc(CCn2cc(CC3CCCC3)nn2)[nH]1.
What is the InChIKey of 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The InChIKey is SBAPLMPNRPQJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-4-11(3-1)7-13-9-18(17-16-13)6-5-12-8-14-10-15-12/h8-11H,1-7H2,(H,14,15).
What are the key properties of 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole has a molecular weight of 245.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole is sourced from PubChem (CID 51354585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).