5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole

C4H6N4O — CID 88928638

IUPAC5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole
SMILESCc1nc(CN=O)n[nH]1
InChIInChI=1S/C4H6N4O/c1-3-6-4(2-5-9)8-7-3/h2H2,1H3,(H,6,7,8)
InChIKeyGPOWWXBRXAYRAT-UHFFFAOYSA-N
MW126.12 g/mol
LogP0.38
Rot. Bonds2

About 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole

5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole (PubChem CID 88928638) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole
PubChem CID88928638
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole
SMILESCc1nc(CN=O)n[nH]1
InChIInChI=1S/C4H6N4O/c1-3-6-4(2-5-9)8-7-3/h2H2,1H3,(H,6,7,8)
InChIKeyGPOWWXBRXAYRAT-UHFFFAOYSA-N
XLogP0.38
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole (CID 88928638) is 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole is Cc1nc(CN=O)n[nH]1.
What is the InChIKey of 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole?
The InChIKey is GPOWWXBRXAYRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-3-6-4(2-5-9)8-7-3/h2H2,1H3,(H,6,7,8).
What are the key properties of 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole?
5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole has a molecular weight of 126.12 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(nitrosomethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 88928638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).