2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C9H12N4 — CID 157300876

IUPAC2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCc1nc(N)c2cccn2n1
InChIInChI=1S/C9H12N4/c1-2-4-8-11-9(10)7-5-3-6-13(7)12-8/h3,5-6H,2,4H2,1H3,(H2,10,11,12)
InChIKeyBBWQHVXJVYYVCG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.26
Rot. Bonds2

About 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine

2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 157300876) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID157300876
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCc1nc(N)c2cccn2n1
InChIInChI=1S/C9H12N4/c1-2-4-8-11-9(10)7-5-3-6-13(7)12-8/h3,5-6H,2,4H2,1H3,(H2,10,11,12)
InChIKeyBBWQHVXJVYYVCG-UHFFFAOYSA-N
XLogP1.26
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 157300876) is 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CCCc1nc(N)c2cccn2n1.
What is the InChIKey of 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is BBWQHVXJVYYVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-4-8-11-9(10)7-5-3-6-13(7)12-8/h3,5-6H,2,4H2,1H3,(H2,10,11,12).
What are the key properties of 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 176.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 157300876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).