1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole

C11H17N5 — CID 139335664

IUPAC1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole
SMILESCC(CCC(C)n1cncn1)n1ccnc1
InChIInChI=1S/C11H17N5/c1-10(15-6-5-12-8-15)3-4-11(2)16-9-13-7-14-16/h5-11H,3-4H2,1-2H3
InChIKeyIOZWLPGDNMTCEU-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.08
Rot. Bonds5

About 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole

1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole (PubChem CID 139335664) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole
PubChem CID139335664
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole
SMILESCC(CCC(C)n1cncn1)n1ccnc1
InChIInChI=1S/C11H17N5/c1-10(15-6-5-12-8-15)3-4-11(2)16-9-13-7-14-16/h5-11H,3-4H2,1-2H3
InChIKeyIOZWLPGDNMTCEU-UHFFFAOYSA-N
XLogP2.08
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16122577
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CID 57394931
1-[7-(1H-imidazol-1-yl)heptyl]-1H-imidazole
CID 10728303
1-Methyl-3-[8-(3-methylimidazol-3-ium-1-yl)octyl]imidazol-1-ium diiodide
CID 11191788
1-Methyl-3-[6-(3-methylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium diiodide
CID 12036657
1-(11-Imidazol-1-ylundecyl)imidazole
CID 23179738
1-(20-Imidazol-1-ylicosyl)imidazole
CID 57393200
1-(8-Imidazol-1-yloctyl)imidazole;dihydrochloride
CID 67156560
5-(7-Imidazol-1-yl-heptyl)-1H-tetrazole
CID 44269990
1-Methyl-3-[10-(3-methylimidazol-3-ium-1-yl)decyl]imidazol-1-ium
CID 5247990
1,12-Di(1h-imidazol-1-yl)dodecane
CID 9972195

Frequently Asked Questions

What is the IUPAC name of 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole?
The IUPAC name of 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole (CID 139335664) is 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole?
The canonical SMILES for 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole is CC(CCC(C)n1cncn1)n1ccnc1.
What is the InChIKey of 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole?
The InChIKey is IOZWLPGDNMTCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-10(15-6-5-12-8-15)3-4-11(2)16-9-13-7-14-16/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole?
1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole has a molecular weight of 219.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-imidazol-1-ylhexan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 139335664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).