4-(3-propyltriazol-4-yl)aniline

C11H14N4 — CID 82205210

IUPAC4-(3-propyltriazol-4-yl)aniline
SMILESCCCn1nncc1-c1ccc(N)cc1
InChIInChI=1S/C11H14N4/c1-2-7-15-11(8-13-14-15)9-3-5-10(12)6-4-9/h3-6,8H,2,7,12H2,1H3
InChIKeyJTMQEZGIDOTTQZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.94
Rot. Bonds3

About 4-(3-propyltriazol-4-yl)aniline

4-(3-propyltriazol-4-yl)aniline (PubChem CID 82205210) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(3-propyltriazol-4-yl)aniline.

Molecular Properties

Compound Name4-(3-propyltriazol-4-yl)aniline
PubChem CID82205210
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-(3-propyltriazol-4-yl)aniline
SMILESCCCn1nncc1-c1ccc(N)cc1
InChIInChI=1S/C11H14N4/c1-2-7-15-11(8-13-14-15)9-3-5-10(12)6-4-9/h3-6,8H,2,7,12H2,1H3
InChIKeyJTMQEZGIDOTTQZ-UHFFFAOYSA-N
XLogP1.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.94
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 4-(3-propyltriazol-4-yl)aniline?
The IUPAC name of 4-(3-propyltriazol-4-yl)aniline (CID 82205210) is 4-(3-propyltriazol-4-yl)aniline.
What is the SMILES notation for 4-(3-propyltriazol-4-yl)aniline?
The canonical SMILES for 4-(3-propyltriazol-4-yl)aniline is CCCn1nncc1-c1ccc(N)cc1.
What is the InChIKey of 4-(3-propyltriazol-4-yl)aniline?
The InChIKey is JTMQEZGIDOTTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-7-15-11(8-13-14-15)9-3-5-10(12)6-4-9/h3-6,8H,2,7,12H2,1H3.
What are the key properties of 4-(3-propyltriazol-4-yl)aniline?
4-(3-propyltriazol-4-yl)aniline has a molecular weight of 202.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyltriazol-4-yl)aniline is sourced from PubChem (CID 82205210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).