2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C6H6N4O — CID 135410170

IUPAC2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESNc1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c7-6-8-5(11)4-2-1-3-10(4)9-6/h1-3H,(H3,7,8,9,11)
InChIKeyGOZHMTPUHBNEJV-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.40
Rot. Bonds

About 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135410170) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135410170
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESNc1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c7-6-8-5(11)4-2-1-3-10(4)9-6/h1-3H,(H3,7,8,9,11)
InChIKeyGOZHMTPUHBNEJV-UHFFFAOYSA-N
XLogP-0.40
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Deazaguanine
CID 135461003
1H-pyrrole-2-carboxamide
CID 573553
1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
Peramine
CID 114748
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514504
1-Methylpyrrole-2-carboxamide
CID 2379477
1H-pyrrole-2-carbohydrazide
CID 281610
1H,2H,3H,4H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
CID 15604988
1H,2H-pyrrolo(1,2-a)pyrazin-1-one
CID 15662088
3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135488218
2-Chloro-1H,4H-pyrrolo(2,1-f)(1,2,4)triazin-4-one
CID 135742087
Peramine cation
CID 91820525

Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135410170) is 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Nc1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is GOZHMTPUHBNEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-6-8-5(11)4-2-1-3-10(4)9-6/h1-3H,(H3,7,8,9,11).
What are the key properties of 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 150.14 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135410170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).