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

C12H9N7O — CID 862123

IUPACN-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cnccn1
InChIInChI=1S/C12H9N7O/c20-12(11-7-13-5-6-14-11)16-9-1-3-10(4-2-9)19-8-15-17-18-19/h1-8H,(H,16,20)
InChIKeyIBAIWHBQVSOMSY-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.70
Rot. Bonds3

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

N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 862123) has the molecular formula C12H9N7O and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
PubChem CID862123
Molecular FormulaC12H9N7O
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cnccn1
InChIInChI=1S/C12H9N7O/c20-12(11-7-13-5-6-14-11)16-9-1-3-10(4-2-9)19-8-15-17-18-19/h1-8H,(H,16,20)
InChIKeyIBAIWHBQVSOMSY-UHFFFAOYSA-N
XLogP0.70
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide (CID 862123) is N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1cnccn1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is IBAIWHBQVSOMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7O/c20-12(11-7-13-5-6-14-11)16-9-1-3-10(4-2-9)19-8-15-17-18-19/h1-8H,(H,16,20).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 267.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 862123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).