5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide

C13H11N7O — CID 649768

IUPAC5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-n3cnnn3)cc2)cn1
InChIInChI=1S/C13H11N7O/c1-9-6-15-12(7-14-9)13(21)17-10-2-4-11(5-3-10)20-8-16-18-19-20/h2-8H,1H3,(H,17,21)
InChIKeyRUSUJENXYRGGKX-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.01
Rot. Bonds3

About 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide

5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 649768) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
PubChem CID649768
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-n3cnnn3)cc2)cn1
InChIInChI=1S/C13H11N7O/c1-9-6-15-12(7-14-9)13(21)17-10-2-4-11(5-3-10)20-8-16-18-19-20/h2-8H,1H3,(H,17,21)
InChIKeyRUSUJENXYRGGKX-UHFFFAOYSA-N
XLogP1.01
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide (CID 649768) is 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(-n3cnnn3)cc2)cn1.
What is the InChIKey of 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is RUSUJENXYRGGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c1-9-6-15-12(7-14-9)13(21)17-10-2-4-11(5-3-10)20-8-16-18-19-20/h2-8H,1H3,(H,17,21).
What are the key properties of 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 649768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).