N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide

C14H12N8O2 — CID 858281

IUPACN-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
SMILESNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
InChIInChI=1S/C14H12N8O2/c15-12(23)8-22-20-13(19-21-22)9-3-1-2-4-10(9)18-14(24)11-7-16-5-6-17-11/h1-7H,8H2,(H2,15,23)(H,18,24)
InChIKeyDDRKYPUJWNRIFU-UHFFFAOYSA-N
MW324.30 g/mol
LogP-0.13
Rot. Bonds5

About N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide

N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 858281) has the molecular formula C14H12N8O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
PubChem CID858281
Molecular FormulaC14H12N8O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
SMILESNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
InChIInChI=1S/C14H12N8O2/c15-12(23)8-22-20-13(19-21-22)9-3-1-2-4-10(9)18-14(24)11-7-16-5-6-17-11/h1-7H,8H2,(H2,15,23)(H,18,24)
InChIKeyDDRKYPUJWNRIFU-UHFFFAOYSA-N
XLogP-0.13
TPSA141.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide (CID 858281) is N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide is NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1.
What is the InChIKey of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is DDRKYPUJWNRIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8O2/c15-12(23)8-22-20-13(19-21-22)9-3-1-2-4-10(9)18-14(24)11-7-16-5-6-17-11/h1-7H,8H2,(H2,15,23)(H,18,24).
What are the key properties of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 324.30 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 858281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).