2-methyltriazole;2,3,4-trimethylhexane

C12H25N3 — CID 174603590

IUPAC2-methyltriazole;2,3,4-trimethylhexane
SMILESCCC(C)C(C)C(C)C.Cn1nccn1
InChIInChI=1S/C9H20.C3H5N3/c1-6-8(4)9(5)7(2)3;1-6-4-2-3-5-6/h7-9H,6H2,1-5H3;2-3H,1H3
InChIKeyVZYIWMCNCHOFKT-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.14
Rot. Bonds3

About 2-methyltriazole;2,3,4-trimethylhexane

2-methyltriazole;2,3,4-trimethylhexane (PubChem CID 174603590) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyltriazole;2,3,4-trimethylhexane.

Molecular Properties

Compound Name2-methyltriazole;2,3,4-trimethylhexane
PubChem CID174603590
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-methyltriazole;2,3,4-trimethylhexane
SMILESCCC(C)C(C)C(C)C.Cn1nccn1
InChIInChI=1S/C9H20.C3H5N3/c1-6-8(4)9(5)7(2)3;1-6-4-2-3-5-6/h7-9H,6H2,1-5H3;2-3H,1H3
InChIKeyVZYIWMCNCHOFKT-UHFFFAOYSA-N
XLogP3.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyltriazole;2,3,4-trimethylhexane?
The IUPAC name of 2-methyltriazole;2,3,4-trimethylhexane (CID 174603590) is 2-methyltriazole;2,3,4-trimethylhexane.
What is the SMILES notation for 2-methyltriazole;2,3,4-trimethylhexane?
The canonical SMILES for 2-methyltriazole;2,3,4-trimethylhexane is CCC(C)C(C)C(C)C.Cn1nccn1.
What is the InChIKey of 2-methyltriazole;2,3,4-trimethylhexane?
The InChIKey is VZYIWMCNCHOFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C3H5N3/c1-6-8(4)9(5)7(2)3;1-6-4-2-3-5-6/h7-9H,6H2,1-5H3;2-3H,1H3.
What are the key properties of 2-methyltriazole;2,3,4-trimethylhexane?
2-methyltriazole;2,3,4-trimethylhexane has a molecular weight of 211.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltriazole;2,3,4-trimethylhexane is sourced from PubChem (CID 174603590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).