4-nitroso-1H-pyrazol-5-amine

C3H4N4O — CID 18769505

IUPAC4-nitroso-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1N=O
InChIInChI=1S/C3H4N4O/c4-3-2(7-8)1-5-6-3/h1H,(H3,4,5,6)
InChIKeyVOTMIABKERSZFY-UHFFFAOYSA-N
MW112.09 g/mol
LogP0.39
Rot. Bonds1

About 4-nitroso-1H-pyrazol-5-amine

4-nitroso-1H-pyrazol-5-amine (PubChem CID 18769505) has the molecular formula C3H4N4O and a molecular weight of 112.09 g/mol. Its IUPAC name is 4-nitroso-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-nitroso-1H-pyrazol-5-amine
PubChem CID18769505
Molecular FormulaC3H4N4O
Molecular Weight112.09 g/mol
Exact Mass112.04
IUPAC Name4-nitroso-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1N=O
InChIInChI=1S/C3H4N4O/c4-3-2(7-8)1-5-6-3/h1H,(H3,4,5,6)
InChIKeyVOTMIABKERSZFY-UHFFFAOYSA-N
XLogP0.39
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 50.39
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-amine?
The IUPAC name of 4-nitroso-1H-pyrazol-5-amine (CID 18769505) is 4-nitroso-1H-pyrazol-5-amine.
What is the SMILES notation for 4-nitroso-1H-pyrazol-5-amine?
The canonical SMILES for 4-nitroso-1H-pyrazol-5-amine is Nc1[nH]ncc1N=O.
What is the InChIKey of 4-nitroso-1H-pyrazol-5-amine?
The InChIKey is VOTMIABKERSZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O/c4-3-2(7-8)1-5-6-3/h1H,(H3,4,5,6).
What are the key properties of 4-nitroso-1H-pyrazol-5-amine?
4-nitroso-1H-pyrazol-5-amine has a molecular weight of 112.09 g/mol, XLogP of 0.39, 1 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-amine is sourced from PubChem (CID 18769505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).