[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine

C16H24N4 — CID 96668709

IUPAC[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)c1nc(CN)n(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H24N4/c1-11(2)15-18-14(10-17)20(19-15)13-8-6-12(7-9-13)16(3,4)5/h6-9,11H,10,17H2,1-5H3
InChIKeyHXEXIPGSSMIRKP-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.15
Rot. Bonds3

About [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine

[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine (PubChem CID 96668709) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
PubChem CID96668709
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)c1nc(CN)n(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H24N4/c1-11(2)15-18-14(10-17)20(19-15)13-8-6-12(7-9-13)16(3,4)5/h6-9,11H,10,17H2,1-5H3
InChIKeyHXEXIPGSSMIRKP-UHFFFAOYSA-N
XLogP3.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine (CID 96668709) is [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine is CC(C)c1nc(CN)n(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is HXEXIPGSSMIRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11(2)15-18-14(10-17)20(19-15)13-8-6-12(7-9-13)16(3,4)5/h6-9,11H,10,17H2,1-5H3.
What are the key properties of [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 272.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 96668709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).