3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline

C11H14N4 — CID 62695272

IUPAC3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCC(C)n1cnnc1-c1cccc(N)c1
InChIInChI=1S/C11H14N4/c1-8(2)15-7-13-14-11(15)9-4-3-5-10(12)6-9/h3-8H,12H2,1-2H3
InChIKeyLIYWRSKAXZMNDR-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.11
Rot. Bonds2

About 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline

3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline (PubChem CID 62695272) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline
PubChem CID62695272
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCC(C)n1cnnc1-c1cccc(N)c1
InChIInChI=1S/C11H14N4/c1-8(2)15-7-13-14-11(15)9-4-3-5-10(12)6-9/h3-8H,12H2,1-2H3
InChIKeyLIYWRSKAXZMNDR-UHFFFAOYSA-N
XLogP2.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline (CID 62695272) is 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline is CC(C)n1cnnc1-c1cccc(N)c1.
What is the InChIKey of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline?
The InChIKey is LIYWRSKAXZMNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(2)15-7-13-14-11(15)9-4-3-5-10(12)6-9/h3-8H,12H2,1-2H3.
What are the key properties of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline?
3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline has a molecular weight of 202.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 62695272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).