CID 70476554

C8H8N6NaO — CID 70476554

IUPAC—
SMILESCc1cccc(C(=O)Nc2nn[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,(H2,10,11,12,13,14,15);
InChIKeyQVPTUWODTQUZTH-UHFFFAOYSA-N
MW227.18 g/mol
LogP-0.23
Rot. Bonds2

About CID 70476554

CID 70476554 (PubChem CID 70476554) has the molecular formula C8H8N6NaO and a molecular weight of 227.18 g/mol.

Molecular Properties

Compound NameCID 70476554
PubChem CID70476554
Molecular FormulaC8H8N6NaO
Molecular Weight227.18 g/mol
Exact Mass227.07
IUPAC Name—
SMILESCc1cccc(C(=O)Nc2nn[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,(H2,10,11,12,13,14,15);
InChIKeyQVPTUWODTQUZTH-UHFFFAOYSA-N
XLogP-0.23
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 13209568
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide
CID 71700893
2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623106
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
3-methyl-2-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267889
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14183513
2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide
CID 96523879
5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676219
N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 39279397

Frequently Asked Questions

What is the IUPAC name of CID 70476554?
The IUPAC name of CID 70476554 (CID 70476554) is not available.
What is the SMILES notation for CID 70476554?
The canonical SMILES for CID 70476554 is Cc1cccc(C(=O)Nc2nn[nH]n2)n1.[Na].
What is the InChIKey of CID 70476554?
The InChIKey is QVPTUWODTQUZTH-UHFFFAOYSA-N. 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,(H2,10,11,12,13,14,15);.
What are the key properties of CID 70476554?
CID 70476554 has a molecular weight of 227.18 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70476554 is sourced from PubChem (CID 70476554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).