1-[4-(triazol-1-yl)butyl]triazole

C8H12N6 — CID 90925029

IUPAC1-[4-(triazol-1-yl)butyl]triazole
SMILESc1cn(CCCCn2ccnn2)nn1
InChIInChI=1S/C8H12N6/c1(5-13-7-3-9-11-13)2-6-14-8-4-10-12-14/h3-4,7-8H,1-2,5-6H2
InChIKeyKZKNODWKRIYTII-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.35
Rot. Bonds5

About 1-[4-(triazol-1-yl)butyl]triazole

1-[4-(triazol-1-yl)butyl]triazole (PubChem CID 90925029) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[4-(triazol-1-yl)butyl]triazole.

Molecular Properties

Compound Name1-[4-(triazol-1-yl)butyl]triazole
PubChem CID90925029
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-[4-(triazol-1-yl)butyl]triazole
SMILESc1cn(CCCCn2ccnn2)nn1
InChIInChI=1S/C8H12N6/c1(5-13-7-3-9-11-13)2-6-14-8-4-10-12-14/h3-4,7-8H,1-2,5-6H2
InChIKeyKZKNODWKRIYTII-UHFFFAOYSA-N
XLogP0.35
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(triazol-1-yl)butan-1-amine
CID 75355685
1-(5-chloropentyl)triazole
CID 66780657
17-(triazol-1-yl)heptadecanoic acid
CID 69480410
propanoic acid;4-(triazol-1-yl)butanoic acid
CID 175246516
1-(3-phenylpropyl)triazole
CID 12811434
2-[4-(triazol-1-yl)butyl]phenol
CID 22715040
4-[4-(triazol-1-yl)butoxy]aniline
CID 143536159
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
triazol-1-ylmethanol
CID 15568557
S-[2-(triazol-1-yl)ethyl] ethanethioate
CID 10464755
2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
CID 114385172
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503

Frequently Asked Questions

What is the IUPAC name of 1-[4-(triazol-1-yl)butyl]triazole?
The IUPAC name of 1-[4-(triazol-1-yl)butyl]triazole (CID 90925029) is 1-[4-(triazol-1-yl)butyl]triazole.
What is the SMILES notation for 1-[4-(triazol-1-yl)butyl]triazole?
The canonical SMILES for 1-[4-(triazol-1-yl)butyl]triazole is c1cn(CCCCn2ccnn2)nn1.
What is the InChIKey of 1-[4-(triazol-1-yl)butyl]triazole?
The InChIKey is KZKNODWKRIYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1(5-13-7-3-9-11-13)2-6-14-8-4-10-12-14/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1-[4-(triazol-1-yl)butyl]triazole?
1-[4-(triazol-1-yl)butyl]triazole has a molecular weight of 192.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(triazol-1-yl)butyl]triazole is sourced from PubChem (CID 90925029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).