[1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine

C11H22N4 — CID 123969047

IUPAC[1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine
SMILESCCC(C)(C)C(C)(C)n1cc(CN)nn1
InChIInChI=1S/C11H22N4/c1-6-10(2,3)11(4,5)15-8-9(7-12)13-14-15/h8H,6-7,12H2,1-5H3
InChIKeyORQLWFFWNOPVLR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.91
Rot. Bonds4

About [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine

[1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine (PubChem CID 123969047) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine
PubChem CID123969047
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name[1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine
SMILESCCC(C)(C)C(C)(C)n1cc(CN)nn1
InChIInChI=1S/C11H22N4/c1-6-10(2,3)11(4,5)15-8-9(7-12)13-14-15/h8H,6-7,12H2,1-5H3
InChIKeyORQLWFFWNOPVLR-UHFFFAOYSA-N
XLogP1.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine (CID 123969047) is [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine is CCC(C)(C)C(C)(C)n1cc(CN)nn1.
What is the InChIKey of [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine?
The InChIKey is ORQLWFFWNOPVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-6-10(2,3)11(4,5)15-8-9(7-12)13-14-15/h8H,6-7,12H2,1-5H3.
What are the key properties of [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine?
[1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine has a molecular weight of 210.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,3-trimethylpentan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 123969047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).