1,4-dimethyl-5-(3-methylpentyl)triazole;ethane

C14H31N3 — CID 177341764

IUPAC1,4-dimethyl-5-(3-methylpentyl)triazole;ethane
SMILESCC.CC.CCC(C)CCc1c(C)nnn1C
InChIInChI=1S/C10H19N3.2C2H6/c1-5-8(2)6-7-10-9(3)11-12-13(10)4;2*1-2/h8H,5-7H2,1-4H3;2*1-2H3
InChIKeyBFYGLDKONXABLU-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.15
Rot. Bonds4

About 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane

1,4-dimethyl-5-(3-methylpentyl)triazole;ethane (PubChem CID 177341764) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane.

Molecular Properties

Compound Name1,4-dimethyl-5-(3-methylpentyl)triazole;ethane
PubChem CID177341764
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1,4-dimethyl-5-(3-methylpentyl)triazole;ethane
SMILESCC.CC.CCC(C)CCc1c(C)nnn1C
InChIInChI=1S/C10H19N3.2C2H6/c1-5-8(2)6-7-10-9(3)11-12-13(10)4;2*1-2/h8H,5-7H2,1-4H3;2*1-2H3
InChIKeyBFYGLDKONXABLU-UHFFFAOYSA-N
XLogP4.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(5-methylheptyl)tetrazole
CID 129015394
4-bromo-5-(3-bromobutyl)-1-methyltriazole
CID 106463580
3-[5-(3-methylpentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]propanal
CID 144615328
1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine
CID 106463502
4-bromo-5-(3-bromo-4-methylpentyl)-1-methyltriazole
CID 106463586
1-butan-2-yl-4,5-dimethyltriazole
CID 89451991
1-(5-bromo-3-methyltriazol-4-yl)-4-methylpentan-3-amine
CID 106463477
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
4-methyl-5-(2-methylpropyl)-1-propyltriazole
CID 69387017
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
CID 105091756
1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine
CID 106463504

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane?
The IUPAC name of 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane (CID 177341764) is 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane.
What is the SMILES notation for 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane?
The canonical SMILES for 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane is CC.CC.CCC(C)CCc1c(C)nnn1C.
What is the InChIKey of 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane?
The InChIKey is BFYGLDKONXABLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3.2C2H6/c1-5-8(2)6-7-10-9(3)11-12-13(10)4;2*1-2/h8H,5-7H2,1-4H3;2*1-2H3.
What are the key properties of 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane?
1,4-dimethyl-5-(3-methylpentyl)triazole;ethane has a molecular weight of 241.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(3-methylpentyl)triazole;ethane is sourced from PubChem (CID 177341764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).