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

C12H19N5O3 — CID 64576614

IUPAC(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)N1CCn2cnnc2C1)C(=O)O
InChIInChI=1S/C12H19N5O3/c1-3-8(2)10(11(18)19)14-12(20)16-4-5-17-7-13-15-9(17)6-16/h7-8,10H,3-6H2,1-2H3,(H,14,20)(H,18,19)/t8?,10-/m0/s1
InChIKeyMYHOCZQYESMWFP-HTLJXXAVSA-N
MW281.32 g/mol
LogP0.30
Rot. Bonds4

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

(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid (PubChem CID 64576614) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
PubChem CID64576614
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)N1CCn2cnnc2C1)C(=O)O
InChIInChI=1S/C12H19N5O3/c1-3-8(2)10(11(18)19)14-12(20)16-4-5-17-7-13-15-9(17)6-16/h7-8,10H,3-6H2,1-2H3,(H,14,20)(H,18,19)/t8?,10-/m0/s1
InChIKeyMYHOCZQYESMWFP-HTLJXXAVSA-N
XLogP0.30
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)propanoic acid
CID 64575080
(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
CID 63026749
(2R)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
CID 80756403
(2S)-4-amino-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid
CID 64577373
(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxypropanoic acid
CID 107840210
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64576761
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid
CID 65265083
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
(2S)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-3-methylpentanoic acid
CID 104921445
(2S,3S)-3-methyl-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]pentanoic acid
CID 62992431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid?
The IUPAC name of (2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid (CID 64576614) is (2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)N1CCn2cnnc2C1)C(=O)O.
What is the InChIKey of (2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid?
The InChIKey is MYHOCZQYESMWFP-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-8(2)10(11(18)19)14-12(20)16-4-5-17-7-13-15-9(17)6-16/h7-8,10H,3-6H2,1-2H3,(H,14,20)(H,18,19)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid?
(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid has a molecular weight of 281.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid is sourced from PubChem (CID 64576614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).