1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine

C13H18N4 — CID 114689625

IUPAC1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine
SMILESCCCn1nncc1-c1cccc(C(C)N)c1
InChIInChI=1S/C13H18N4/c1-3-7-17-13(9-15-16-17)12-6-4-5-11(8-12)10(2)14/h4-6,8-10H,3,7,14H2,1-2H3
InChIKeyCIVJKEGUZMUAGC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.37
Rot. Bonds4

About 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine

1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine (PubChem CID 114689625) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine
PubChem CID114689625
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine
SMILESCCCn1nncc1-c1cccc(C(C)N)c1
InChIInChI=1S/C13H18N4/c1-3-7-17-13(9-15-16-17)12-6-4-5-11(8-12)10(2)14/h4-6,8-10H,3,7,14H2,1-2H3
InChIKeyCIVJKEGUZMUAGC-UHFFFAOYSA-N
XLogP2.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine (CID 114689625) is 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine is CCCn1nncc1-c1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine?
The InChIKey is CIVJKEGUZMUAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-7-17-13(9-15-16-17)12-6-4-5-11(8-12)10(2)14/h4-6,8-10H,3,7,14H2,1-2H3.
What are the key properties of 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine?
1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 114689625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).