(4-nitroso-1H-pyrazol-5-yl)methanamine

C4H6N4O — CID 87795709

IUPAC(4-nitroso-1H-pyrazol-5-yl)methanamine
SMILESNCc1[nH]ncc1N=O
InChIInChI=1S/C4H6N4O/c5-1-3-4(8-9)2-6-7-3/h2H,1,5H2,(H,6,7)
InChIKeyBHKNJFNAZLRGND-UHFFFAOYSA-N
MW126.12 g/mol
LogP0.27
Rot. Bonds2

About (4-nitroso-1H-pyrazol-5-yl)methanamine

(4-nitroso-1H-pyrazol-5-yl)methanamine (PubChem CID 87795709) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is (4-nitroso-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-nitroso-1H-pyrazol-5-yl)methanamine
PubChem CID87795709
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name(4-nitroso-1H-pyrazol-5-yl)methanamine
SMILESNCc1[nH]ncc1N=O
InChIInChI=1S/C4H6N4O/c5-1-3-4(8-9)2-6-7-3/h2H,1,5H2,(H,6,7)
InChIKeyBHKNJFNAZLRGND-UHFFFAOYSA-N
XLogP0.27
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-nitroso-1H-pyrazol-5-yl)methanamine?
The IUPAC name of (4-nitroso-1H-pyrazol-5-yl)methanamine (CID 87795709) is (4-nitroso-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (4-nitroso-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (4-nitroso-1H-pyrazol-5-yl)methanamine is NCc1[nH]ncc1N=O.
What is the InChIKey of (4-nitroso-1H-pyrazol-5-yl)methanamine?
The InChIKey is BHKNJFNAZLRGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-1-3-4(8-9)2-6-7-3/h2H,1,5H2,(H,6,7).
What are the key properties of (4-nitroso-1H-pyrazol-5-yl)methanamine?
(4-nitroso-1H-pyrazol-5-yl)methanamine has a molecular weight of 126.12 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitroso-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 87795709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).