1-methyl-4-nitrosopyrazol-5-amine

C4H6N4O — CID 12851580

IUPAC1-methyl-4-nitrosopyrazol-5-amine
SMILESCn1ncc(N=O)c1N
InChIInChI=1S/C4H6N4O/c1-8-4(5)3(7-9)2-6-8/h2H,5H2,1H3
InChIKeyOJGQNWRZILCCRW-UHFFFAOYSA-N
MW126.12 g/mol
LogP0.40
Rot. Bonds1

About 1-methyl-4-nitrosopyrazol-5-amine

1-methyl-4-nitrosopyrazol-5-amine (PubChem CID 12851580) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 1-methyl-4-nitrosopyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-nitrosopyrazol-5-amine
PubChem CID12851580
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name1-methyl-4-nitrosopyrazol-5-amine
SMILESCn1ncc(N=O)c1N
InChIInChI=1S/C4H6N4O/c1-8-4(5)3(7-9)2-6-8/h2H,5H2,1H3
InChIKeyOJGQNWRZILCCRW-UHFFFAOYSA-N
XLogP0.40
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitrosopyrazol-5-amine?
The IUPAC name of 1-methyl-4-nitrosopyrazol-5-amine (CID 12851580) is 1-methyl-4-nitrosopyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-nitrosopyrazol-5-amine?
The canonical SMILES for 1-methyl-4-nitrosopyrazol-5-amine is Cn1ncc(N=O)c1N.
What is the InChIKey of 1-methyl-4-nitrosopyrazol-5-amine?
The InChIKey is OJGQNWRZILCCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-8-4(5)3(7-9)2-6-8/h2H,5H2,1H3.
What are the key properties of 1-methyl-4-nitrosopyrazol-5-amine?
1-methyl-4-nitrosopyrazol-5-amine has a molecular weight of 126.12 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitrosopyrazol-5-amine is sourced from PubChem (CID 12851580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).