2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C9H12N4O — CID 144683788

IUPAC2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1ccn2nc([C@H](C)N)[nH]c(=O)c12
InChIInChI=1S/C9H12N4O/c1-5-3-4-13-7(5)9(14)11-8(12-13)6(2)10/h3-4,6H,10H2,1-2H3,(H,11,12,14)/t6-/m0/s1
InChIKeyUPJJFWAREODJKS-LURJTMIESA-N
MW192.22 g/mol
LogP0.35
Rot. Bonds1

About 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 144683788) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID144683788
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1ccn2nc([C@H](C)N)[nH]c(=O)c12
InChIInChI=1S/C9H12N4O/c1-5-3-4-13-7(5)9(14)11-8(12-13)6(2)10/h3-4,6H,10H2,1-2H3,(H,11,12,14)/t6-/m0/s1
InChIKeyUPJJFWAREODJKS-LURJTMIESA-N
XLogP0.35
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1S)-1-aminoethyl]-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 144683788) is 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1ccn2nc([C@H](C)N)[nH]c(=O)c12.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is UPJJFWAREODJKS-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N4O/c1-5-3-4-13-7(5)9(14)11-8(12-13)6(2)10/h3-4,6H,10H2,1-2H3,(H,11,12,14)/t6-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 144683788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).