5-butyl-1-methyltriazole

C7H13N3 — CID 102310327

IUPAC5-butyl-1-methyltriazole
SMILESCCCCc1cnnn1C
InChIInChI=1S/C7H13N3/c1-3-4-5-7-6-8-9-10(7)2/h6H,3-5H2,1-2H3
InChIKeyVOBKHVFUUOHCIC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.16
Rot. Bonds3

About 5-butyl-1-methyltriazole

5-butyl-1-methyltriazole (PubChem CID 102310327) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-butyl-1-methyltriazole.

Molecular Properties

Compound Name5-butyl-1-methyltriazole
PubChem CID102310327
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-butyl-1-methyltriazole
SMILESCCCCc1cnnn1C
InChIInChI=1S/C7H13N3/c1-3-4-5-7-6-8-9-10(7)2/h6H,3-5H2,1-2H3
InChIKeyVOBKHVFUUOHCIC-UHFFFAOYSA-N
XLogP1.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methylbut-2-enyl)-4-pentyltriazole
CID 145979958
1-(3-Methylbut-2-enyl)-4-propyltriazole
CID 145988656
1-(3-Methylbut-2-enyl)-4-octyltriazole
CID 145988988
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyridine
CID 15425501
(1R)-1-(1-methyl-1H-1,2,3-triazol-5-yl)propan-1-amine dihydrochloride
CID 155978406
4-Dodecyl-1-ethyltriazole
CID 177693236
4-Dodecyl-1-propyltriazole
CID 177693238
4-Butyl-1-(1,1,2,3,3,3-hexafluoropropyl)triazole
CID 134909816
5-Butyl-1-(1,1,2,3,3,3-hexafluoropropyl)triazole
CID 134909817
Butyl triazole
CID 14794989
1,4-Di(n-butyl)-1,2,3-triazole
CID 18994978

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-methyltriazole?
The IUPAC name of 5-butyl-1-methyltriazole (CID 102310327) is 5-butyl-1-methyltriazole.
What is the SMILES notation for 5-butyl-1-methyltriazole?
The canonical SMILES for 5-butyl-1-methyltriazole is CCCCc1cnnn1C.
What is the InChIKey of 5-butyl-1-methyltriazole?
The InChIKey is VOBKHVFUUOHCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-4-5-7-6-8-9-10(7)2/h6H,3-5H2,1-2H3.
What are the key properties of 5-butyl-1-methyltriazole?
5-butyl-1-methyltriazole has a molecular weight of 139.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methyltriazole is sourced from PubChem (CID 102310327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).