5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C14H15N5 — CID 130447829

IUPAC5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCc1cc(-c2ccc(N)cc2)c2c(N)ncnn12
InChIInChI=1S/C14H15N5/c1-2-11-7-12(9-3-5-10(15)6-4-9)13-14(16)17-8-18-19(11)13/h3-8H,2,15H2,1H3,(H2,16,17,18)
InChIKeyODPNLBOCIOJHPW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.12
Rot. Bonds2

About 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 130447829) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID130447829
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCc1cc(-c2ccc(N)cc2)c2c(N)ncnn12
InChIInChI=1S/C14H15N5/c1-2-11-7-12(9-3-5-10(15)6-4-9)13-14(16)17-8-18-19(11)13/h3-8H,2,15H2,1H3,(H2,16,17,18)
InChIKeyODPNLBOCIOJHPW-UHFFFAOYSA-N
XLogP2.12
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 130447829) is 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CCc1cc(-c2ccc(N)cc2)c2c(N)ncnn12.
What is the InChIKey of 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ODPNLBOCIOJHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-11-7-12(9-3-5-10(15)6-4-9)13-14(16)17-8-18-19(11)13/h3-8H,2,15H2,1H3,(H2,16,17,18).
What are the key properties of 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 130447829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).