2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate

C16H24N4O2 — CID 170400745

IUPAC2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate
SMILESCCCC(C)c1ccc2c(NC(=O)OCC(C)C)ncnn12
InChIInChI=1S/C16H24N4O2/c1-5-6-12(4)13-7-8-14-15(17-10-18-20(13)14)19-16(21)22-9-11(2)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,17,18,19,21)
InChIKeyQUDXPINTQPNCQF-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.84
Rot. Bonds6

About 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate

2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate (PubChem CID 170400745) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate
PubChem CID170400745
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate
SMILESCCCC(C)c1ccc2c(NC(=O)OCC(C)C)ncnn12
InChIInChI=1S/C16H24N4O2/c1-5-6-12(4)13-7-8-14-15(17-10-18-20(13)14)19-16(21)22-9-11(2)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,17,18,19,21)
InChIKeyQUDXPINTQPNCQF-UHFFFAOYSA-N
XLogP3.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate (CID 170400745) is 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate is CCCC(C)c1ccc2c(NC(=O)OCC(C)C)ncnn12.
What is the InChIKey of 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate?
The InChIKey is QUDXPINTQPNCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-5-6-12(4)13-7-8-14-15(17-10-18-20(13)14)19-16(21)22-9-11(2)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,17,18,19,21).
What are the key properties of 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate?
2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate has a molecular weight of 304.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(7-pentan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate is sourced from PubChem (CID 170400745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).