1-(4-methyloctan-3-yl)triazole

C11H21N3 — CID 167298124

IUPAC1-(4-methyloctan-3-yl)triazole
SMILESCCCCC(C)C(CC)n1ccnn1
InChIInChI=1S/C11H21N3/c1-4-6-7-10(3)11(5-2)14-9-8-12-13-14/h8-11H,4-7H2,1-3H3
InChIKeyGGYLBPGFUYFZQA-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.06
Rot. Bonds6

About 1-(4-methyloctan-3-yl)triazole

1-(4-methyloctan-3-yl)triazole (PubChem CID 167298124) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(4-methyloctan-3-yl)triazole.

Molecular Properties

Compound Name1-(4-methyloctan-3-yl)triazole
PubChem CID167298124
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(4-methyloctan-3-yl)triazole
SMILESCCCCC(C)C(CC)n1ccnn1
InChIInChI=1S/C11H21N3/c1-4-6-7-10(3)11(5-2)14-9-8-12-13-14/h8-11H,4-7H2,1-3H3
InChIKeyGGYLBPGFUYFZQA-UHFFFAOYSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69479443
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5,6,14,15-tetramethylnonadecane
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4-fluoro-3-methyloctane
CID 89416555
2-octyl-1-(triazol-1-yl)dodecan-1-one
CID 19788746
(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
CID 107146486
[1-(1-butan-2-ylpyrazol-3-yl)-3-methylheptan-2-yl]hydrazine
CID 114247274
(3R)-2,3-dimethylheptane;ethane
CID 163241846
alumane;2,3-dimethylheptane
CID 174508099
2,3-dimethylheptane;ethane
CID 156648444
4-iodo-2-methyloctane
CID 174582268

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyloctan-3-yl)triazole?
The IUPAC name of 1-(4-methyloctan-3-yl)triazole (CID 167298124) is 1-(4-methyloctan-3-yl)triazole.
What is the SMILES notation for 1-(4-methyloctan-3-yl)triazole?
The canonical SMILES for 1-(4-methyloctan-3-yl)triazole is CCCCC(C)C(CC)n1ccnn1.
What is the InChIKey of 1-(4-methyloctan-3-yl)triazole?
The InChIKey is GGYLBPGFUYFZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-7-10(3)11(5-2)14-9-8-12-13-14/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(4-methyloctan-3-yl)triazole?
1-(4-methyloctan-3-yl)triazole has a molecular weight of 195.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloctan-3-yl)triazole is sourced from PubChem (CID 167298124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).