(2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid

C11H12N6O2 — CID 147892822

IUPAC(2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid
SMILESCc1nnc(-c2ccc(C[C@H](N)C(=O)O)nc2)nn1
InChIInChI=1S/C11H12N6O2/c1-6-14-16-10(17-15-6)7-2-3-8(13-5-7)4-9(12)11(18)19/h2-3,5,9H,4,12H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyICPXKNPNVGSIFF-VIFPVBQESA-N
MW260.26 g/mol
LogP-0.41
Rot. Bonds4

About (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid

(2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid (PubChem CID 147892822) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid
PubChem CID147892822
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name(2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid
SMILESCc1nnc(-c2ccc(C[C@H](N)C(=O)O)nc2)nn1
InChIInChI=1S/C11H12N6O2/c1-6-14-16-10(17-15-6)7-2-3-8(13-5-7)4-9(12)11(18)19/h2-3,5,9H,4,12H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyICPXKNPNVGSIFF-VIFPVBQESA-N
XLogP-0.41
TPSA127.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid with MolForge

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Related Compounds

(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
CID 131053081
(2S)-2-amino-3-[5-[[(6-methyl-1,2,4,5-tetrazin-3-yl)amino]methyl]-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[5-[(6-methyl-1,2,4,5-tetrazin-3-yl)amino]-3-pyridinyl]propanoic acid
CID 161171976
2-amino-3-[5-[2,3-dioxobutyl(methyl)amino]-2-pyridinyl]propanoic acid
CID 70899365
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
2-amino-3-(5-borono-4-methyl-2-pyridinyl)propanoic acid
CID 174030715
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
N-(5-amino-6-oxoheptyl)-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
CID 118351632
(2S)-2-amino-3-[5-(3-methyl-2,6-dioxopyrimidin-1-yl)-2-pyridinyl]propanoic acid
CID 142768633
2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid
CID 115044956
2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid
CID 83831468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid (CID 147892822) is (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid is Cc1nnc(-c2ccc(C[C@H](N)C(=O)O)nc2)nn1.
What is the InChIKey of (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid?
The InChIKey is ICPXKNPNVGSIFF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N6O2/c1-6-14-16-10(17-15-6)7-2-3-8(13-5-7)4-9(12)11(18)19/h2-3,5,9H,4,12H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid?
(2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid has a molecular weight of 260.26 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 147892822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).