nitroxyl;pyrimidine;hydrochloride

C4H6ClN3O — CID 174544758

IUPACnitroxyl;pyrimidine;hydrochloride
SMILESCl.N=O.c1cncnc1
InChIInChI=1S/C4H4N2.ClH.HNO/c1-2-5-4-6-3-1;;1-2/h1-4H;1H;1H
InChIKeyNMKCVQJDLQWIOP-UHFFFAOYSA-N
MW147.57 g/mol
LogP1.23
Rot. Bonds

About nitroxyl;pyrimidine;hydrochloride

nitroxyl;pyrimidine;hydrochloride (PubChem CID 174544758) has the molecular formula C4H6ClN3O and a molecular weight of 147.57 g/mol. Its IUPAC name is nitroxyl;pyrimidine;hydrochloride.

Molecular Properties

Compound Namenitroxyl;pyrimidine;hydrochloride
PubChem CID174544758
Molecular FormulaC4H6ClN3O
Molecular Weight147.57 g/mol
Exact Mass147.02
IUPAC Namenitroxyl;pyrimidine;hydrochloride
SMILESCl.N=O.c1cncnc1
InChIInChI=1S/C4H4N2.ClH.HNO/c1-2-5-4-6-3-1;;1-2/h1-4H;1H;1H
InChIKeyNMKCVQJDLQWIOP-UHFFFAOYSA-N
XLogP1.23
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of nitroxyl;pyrimidine;hydrochloride?
The IUPAC name of nitroxyl;pyrimidine;hydrochloride (CID 174544758) is nitroxyl;pyrimidine;hydrochloride.
What is the SMILES notation for nitroxyl;pyrimidine;hydrochloride?
The canonical SMILES for nitroxyl;pyrimidine;hydrochloride is Cl.N=O.c1cncnc1.
What is the InChIKey of nitroxyl;pyrimidine;hydrochloride?
The InChIKey is NMKCVQJDLQWIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.ClH.HNO/c1-2-5-4-6-3-1;;1-2/h1-4H;1H;1H.
What are the key properties of nitroxyl;pyrimidine;hydrochloride?
nitroxyl;pyrimidine;hydrochloride has a molecular weight of 147.57 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitroxyl;pyrimidine;hydrochloride is sourced from PubChem (CID 174544758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).