[4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine

C13H11N7 — CID 71042973

IUPAC[4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc(-c3ncccn3)nn2)cc1
InChIInChI=1S/C13H11N7/c14-8-9-2-4-10(5-3-9)11-17-19-13(20-18-11)12-15-6-1-7-16-12/h1-7H,8,14H2
InChIKeyABXOXYXFUCBXLT-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.85
Rot. Bonds3

About [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine

[4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine (PubChem CID 71042973) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine
PubChem CID71042973
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name[4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc(-c3ncccn3)nn2)cc1
InChIInChI=1S/C13H11N7/c14-8-9-2-4-10(5-3-9)11-17-19-13(20-18-11)12-15-6-1-7-16-12/h1-7H,8,14H2
InChIKeyABXOXYXFUCBXLT-UHFFFAOYSA-N
XLogP0.85
TPSA103.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine?
The IUPAC name of [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine (CID 71042973) is [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine is NCc1ccc(-c2nnc(-c3ncccn3)nn2)cc1.
What is the InChIKey of [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine?
The InChIKey is ABXOXYXFUCBXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c14-8-9-2-4-10(5-3-9)11-17-19-13(20-18-11)12-15-6-1-7-16-12/h1-7H,8,14H2.
What are the key properties of [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine?
[4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine has a molecular weight of 265.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine is sourced from PubChem (CID 71042973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).