5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid

C8H9N7O2 — CID 167982197

IUPAC5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCn1nnc(CNc2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C8H9N7O2/c1-15-13-7(12-14-15)4-11-6-3-9-5(2-10-6)8(16)17/h2-3H,4H2,1H3,(H,10,11)(H,16,17)
InChIKeyNBTLULYOHKLKQW-UHFFFAOYSA-N
MW235.21 g/mol
LogP-0.69
Rot. Bonds4

About 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid

5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 167982197) has the molecular formula C8H9N7O2 and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID167982197
Molecular FormulaC8H9N7O2
Molecular Weight235.21 g/mol
Exact Mass235.08
IUPAC Name5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCn1nnc(CNc2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C8H9N7O2/c1-15-13-7(12-14-15)4-11-6-3-9-5(2-10-6)8(16)17/h2-3H,4H2,1H3,(H,10,11)(H,16,17)
InChIKeyNBTLULYOHKLKQW-UHFFFAOYSA-N
XLogP-0.69
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054324
5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 167927177
5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
CID 107372352
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 167786219
5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid
CID 166302096
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496
5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid
CID 122049013

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid (CID 167982197) is 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid is Cn1nnc(CNc2cnc(C(=O)O)cn2)n1.
What is the InChIKey of 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is NBTLULYOHKLKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O2/c1-15-13-7(12-14-15)4-11-6-3-9-5(2-10-6)8(16)17/h2-3H,4H2,1H3,(H,10,11)(H,16,17).
What are the key properties of 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167982197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).