4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine

C14H18N6O — CID 89449513

IUPAC4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCOC(C)n1cc(-c2nc(N)nn3c(C)ccc23)cn1
InChIInChI=1S/C14H18N6O/c1-4-21-10(3)19-8-11(7-16-19)13-12-6-5-9(2)20(12)18-14(15)17-13/h5-8,10H,4H2,1-3H3,(H2,15,18)
InChIKeyGVNQMKXNIFJZIT-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.04
Rot. Bonds4

About 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine

4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 89449513) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID89449513
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCOC(C)n1cc(-c2nc(N)nn3c(C)ccc23)cn1
InChIInChI=1S/C14H18N6O/c1-4-21-10(3)19-8-11(7-16-19)13-12-6-5-9(2)20(12)18-14(15)17-13/h5-8,10H,4H2,1-3H3,(H2,15,18)
InChIKeyGVNQMKXNIFJZIT-UHFFFAOYSA-N
XLogP2.04
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 89449513) is 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine is CCOC(C)n1cc(-c2nc(N)nn3c(C)ccc23)cn1.
What is the InChIKey of 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is GVNQMKXNIFJZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-4-21-10(3)19-8-11(7-16-19)13-12-6-5-9(2)20(12)18-14(15)17-13/h5-8,10H,4H2,1-3H3,(H2,15,18).
What are the key properties of 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 286.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 89449513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).