(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid

C9H13N5O4 — CID 107840210

IUPAC(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C9H13N5O4/c15-6(8(16)17)3-10-9(18)13-1-2-14-5-11-12-7(14)4-13/h5-6,15H,1-4H2,(H,10,18)(H,16,17)/t6-/m0/s1
InChIKeyYMIHRZWKPWOMPE-LURJTMIESA-N
MW255.23 g/mol
LogP-1.75
Rot. Bonds3

About (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid

(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid (PubChem CID 107840210) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid
PubChem CID107840210
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C9H13N5O4/c15-6(8(16)17)3-10-9(18)13-1-2-14-5-11-12-7(14)4-13/h5-6,15H,1-4H2,(H,10,18)(H,16,17)/t6-/m0/s1
InChIKeyYMIHRZWKPWOMPE-LURJTMIESA-N
XLogP-1.75
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid 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 (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid (CID 107840210) is (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid is O=C(O)[C@@H](O)CNC(=O)N1CCn2cnnc2C1.
What is the InChIKey of (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid?
The InChIKey is YMIHRZWKPWOMPE-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N5O4/c15-6(8(16)17)3-10-9(18)13-1-2-14-5-11-12-7(14)4-13/h5-6,15H,1-4H2,(H,10,18)(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid?
(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 107840210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).