5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid

C11H9N7O2 — CID 81099516

IUPAC5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2cncc3nnnn23)cn1
InChIInChI=1S/C11H9N7O2/c19-11(20)8-2-1-7(3-13-8)4-14-9-5-12-6-10-15-16-17-18(9)10/h1-3,5-6,14H,4H2,(H,19,20)
InChIKeyJCRTUEZSVWPQBC-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.22
Rot. Bonds4

About 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid

5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 81099516) has the molecular formula C11H9N7O2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid
PubChem CID81099516
Molecular FormulaC11H9N7O2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2cncc3nnnn23)cn1
InChIInChI=1S/C11H9N7O2/c19-11(20)8-2-1-7(3-13-8)4-14-9-5-12-6-10-15-16-17-18(9)10/h1-3,5-6,14H,4H2,(H,19,20)
InChIKeyJCRTUEZSVWPQBC-UHFFFAOYSA-N
XLogP0.22
TPSA118.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 60981108
5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 105362161
2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid
CID 104683126
N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 62659503
N-[(1-methylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 103737000
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 114694406
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
2-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)propan-1-ol
CID 105058600
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
5-[(4-nitroanilino)methyl]pyridine-2-carboxylic acid
CID 81100171
5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid
CID 81088915
N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 103970438

Frequently Asked Questions

What is the IUPAC name of 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid (CID 81099516) is 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNc2cncc3nnnn23)cn1.
What is the InChIKey of 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is JCRTUEZSVWPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O2/c19-11(20)8-2-1-7(3-13-8)4-14-9-5-12-6-10-15-16-17-18(9)10/h1-3,5-6,14H,4H2,(H,19,20).
What are the key properties of 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid?
5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 271.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).