sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide

C8H7N6NaO — CID 23711636

IUPACsodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide
SMILESCc1cccc(C(=O)[N-]c2nn[nH]n2)n1.[Na+]
InChIInChI=1S/C8H8N6O.Na/c1-5-3-2-4-6(9-5)7(15)10-8-11-13-14-12-8;/h2-4H,1H3,(H2,9,10,11,12,13,14,15);/q;+1/p-1
InChIKeyRYUBOCZNGCDGOU-UHFFFAOYSA-M
MW226.18 g/mol
LogP-2.25
Rot. Bonds2

About sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide

sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide (PubChem CID 23711636) has the molecular formula C8H7N6NaO and a molecular weight of 226.18 g/mol. Its IUPAC name is sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide.

Molecular Properties

Compound Namesodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide
PubChem CID23711636
Molecular FormulaC8H7N6NaO
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Namesodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide
SMILESCc1cccc(C(=O)[N-]c2nn[nH]n2)n1.[Na+]
InChIInChI=1S/C8H8N6O.Na/c1-5-3-2-4-6(9-5)7(15)10-8-11-13-14-12-8;/h2-4H,1H3,(H2,9,10,11,12,13,14,15);/q;+1/p-1
InChIKeyRYUBOCZNGCDGOU-UHFFFAOYSA-M
XLogP-2.25
TPSA98.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-2.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide?
The IUPAC name of sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide (CID 23711636) is sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide.
What is the SMILES notation for sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide?
The canonical SMILES for sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide is Cc1cccc(C(=O)[N-]c2nn[nH]n2)n1.[Na+].
What is the InChIKey of sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide?
The InChIKey is RYUBOCZNGCDGOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N6O.Na/c1-5-3-2-4-6(9-5)7(15)10-8-11-13-14-12-8;/h2-4H,1H3,(H2,9,10,11,12,13,14,15);/q;+1/p-1.
What are the key properties of sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide?
sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide has a molecular weight of 226.18 g/mol, XLogP of -2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide is sourced from PubChem (CID 23711636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).