ethane;2-methyl-4-(nitrosomethyl)triazole

C6H12N4O — CID 143608312

IUPACethane;2-methyl-4-(nitrosomethyl)triazole
SMILESCC.Cn1ncc(CN=O)n1
InChIInChI=1S/C4H6N4O.C2H6/c1-8-5-2-4(7-8)3-6-9;1-2/h2H,3H2,1H3;1-2H3
InChIKeyVWJQTUSZVGXPJK-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.11
Rot. Bonds2

About ethane;2-methyl-4-(nitrosomethyl)triazole

ethane;2-methyl-4-(nitrosomethyl)triazole (PubChem CID 143608312) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is ethane;2-methyl-4-(nitrosomethyl)triazole.

Molecular Properties

Compound Nameethane;2-methyl-4-(nitrosomethyl)triazole
PubChem CID143608312
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Nameethane;2-methyl-4-(nitrosomethyl)triazole
SMILESCC.Cn1ncc(CN=O)n1
InChIInChI=1S/C4H6N4O.C2H6/c1-8-5-2-4(7-8)3-6-9;1-2/h2H,3H2,1H3;1-2H3
InChIKeyVWJQTUSZVGXPJK-UHFFFAOYSA-N
XLogP1.11
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(nitrosomethyl)triazole?
The IUPAC name of ethane;2-methyl-4-(nitrosomethyl)triazole (CID 143608312) is ethane;2-methyl-4-(nitrosomethyl)triazole.
What is the SMILES notation for ethane;2-methyl-4-(nitrosomethyl)triazole?
The canonical SMILES for ethane;2-methyl-4-(nitrosomethyl)triazole is CC.Cn1ncc(CN=O)n1.
What is the InChIKey of ethane;2-methyl-4-(nitrosomethyl)triazole?
The InChIKey is VWJQTUSZVGXPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.C2H6/c1-8-5-2-4(7-8)3-6-9;1-2/h2H,3H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4-(nitrosomethyl)triazole?
ethane;2-methyl-4-(nitrosomethyl)triazole has a molecular weight of 156.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(nitrosomethyl)triazole is sourced from PubChem (CID 143608312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).