2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid

C15H13N7O2 — CID 165114141

IUPAC2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(-c2nnc(-c3ccccn3)nn2)nc1
InChIInChI=1S/C15H13N7O2/c23-13(24)9-16-7-10-4-5-12(18-8-10)15-21-19-14(20-22-15)11-3-1-2-6-17-11/h1-6,8,16H,7,9H2,(H,23,24)
InChIKeyUMHWEBVWPNUTNJ-UHFFFAOYSA-N
MW323.32 g/mol
LogP0.56
Rot. Bonds6

About 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid

2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid (PubChem CID 165114141) has the molecular formula C15H13N7O2 and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid
PubChem CID165114141
Molecular FormulaC15H13N7O2
Molecular Weight323.32 g/mol
Exact Mass323.11
IUPAC Name2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(-c2nnc(-c3ccccn3)nn2)nc1
InChIInChI=1S/C15H13N7O2/c23-13(24)9-16-7-10-4-5-12(18-8-10)15-21-19-14(20-22-15)11-3-1-2-6-17-11/h1-6,8,16H,7,9H2,(H,23,24)
InChIKeyUMHWEBVWPNUTNJ-UHFFFAOYSA-N
XLogP0.56
TPSA126.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid with MolForge

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Related Compounds

3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid
CID 91671167
2-phenoxy-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714395
5-oxo-2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid
CID 141428671
1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide
CID 110714444
3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide
CID 110714398
2-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]acetic acid
CID 170886833
2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethyl]pyridine
CID 102191368
N-[(2S)-1-oxo-3-pyridin-4-yl-1-[(6-pyridin-2-yl-3-pyridinyl)methylamino]propan-2-yl]benzamide
CID 166513917
2-(4-methoxyphenyl)-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714393
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
[4-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;tris(2,2,2-trifluoroacetic acid)
CID 178200513

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid?
The IUPAC name of 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid (CID 165114141) is 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid?
The canonical SMILES for 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid is O=C(O)CNCc1ccc(-c2nnc(-c3ccccn3)nn2)nc1.
What is the InChIKey of 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid?
The InChIKey is UMHWEBVWPNUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2/c23-13(24)9-16-7-10-4-5-12(18-8-10)15-21-19-14(20-22-15)11-3-1-2-6-17-11/h1-6,8,16H,7,9H2,(H,23,24).
What are the key properties of 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid?
2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid has a molecular weight of 323.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid is sourced from PubChem (CID 165114141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).