CID 176676876

C8H12N3OSn — CID 176676876

IUPAC—
SMILESCNC(=O)c1cc([Sn](C)C)ncn1
InChIInChI=1S/C6H6N3O.2CH3.Sn/c1-7-6(10)5-2-3-8-4-9-5;;;/h2,4H,1H3,(H,7,10);2*1H3;
InChIKeyYROQKSIPNWECSP-UHFFFAOYSA-N
MW284.92 g/mol
LogP-0.20
Rot. Bonds2

About CID 176676876

CID 176676876 (PubChem CID 176676876) has the molecular formula C8H12N3OSn and a molecular weight of 284.92 g/mol.

Molecular Properties

Compound NameCID 176676876
PubChem CID176676876
Molecular FormulaC8H12N3OSn
Molecular Weight284.92 g/mol
Exact Mass286.00
IUPAC Name—
SMILESCNC(=O)c1cc([Sn](C)C)ncn1
InChIInChI=1S/C6H6N3O.2CH3.Sn/c1-7-6(10)5-2-3-8-4-9-5;;;/h2,4H,1H3,(H,7,10);2*1H3;
InChIKeyYROQKSIPNWECSP-UHFFFAOYSA-N
XLogP-0.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.92
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-N-methylpyrimidine-4-carboxamide
CID 148883482
4-amino-N,5-dimethylpyridine-2-carboxamide
CID 153471844
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
[(1S)-1-[2-[6-(methylcarbamoyl)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethyl]azanium chloride
CID 176917554
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
4-(aminooxymethyl)-N-methylpyridine-2-carboxamide
CID 142264154
6-[[(4R)-azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124641367
4-chloro-N,6-dimethylpyridine-2-carboxamide
CID 129104219
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
N'-acetyl-6-methylpyrimidine-4-carbohydrazide
CID 142352273
6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168928767
ethane;N-methyl-1H-pyrazolo[4,3-c]pyridine-6-carboxamide
CID 145225165

Frequently Asked Questions

What is the IUPAC name of CID 176676876?
The IUPAC name of CID 176676876 (CID 176676876) is not available.
What is the SMILES notation for CID 176676876?
The canonical SMILES for CID 176676876 is CNC(=O)c1cc([Sn](C)C)ncn1.
What is the InChIKey of CID 176676876?
The InChIKey is YROQKSIPNWECSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3O.2CH3.Sn/c1-7-6(10)5-2-3-8-4-9-5;;;/h2,4H,1H3,(H,7,10);2*1H3;.
What are the key properties of CID 176676876?
CID 176676876 has a molecular weight of 284.92 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176676876 is sourced from PubChem (CID 176676876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).