formonitrile;urea;dihydrochloride

C2H7Cl2N3O — CID 174786205

IUPACformonitrile;urea;dihydrochloride
SMILESC#N.Cl.Cl.NC(N)=O
InChIInChI=1S/CH4N2O.CHN.2ClH/c2-1(3)4;1-2;;/h(H4,2,3,4);1H;2*1H
InChIKeySLGACHJMKAPSMW-UHFFFAOYSA-N
MW160.00 g/mol
LogP0.01
Rot. Bonds

About formonitrile;urea;dihydrochloride

formonitrile;urea;dihydrochloride (PubChem CID 174786205) has the molecular formula C2H7Cl2N3O and a molecular weight of 160.00 g/mol. Its IUPAC name is formonitrile;urea;dihydrochloride.

Molecular Properties

Compound Nameformonitrile;urea;dihydrochloride
PubChem CID174786205
Molecular FormulaC2H7Cl2N3O
Molecular Weight160.00 g/mol
Exact Mass159.00
IUPAC Nameformonitrile;urea;dihydrochloride
SMILESC#N.Cl.Cl.NC(N)=O
InChIInChI=1S/CH4N2O.CHN.2ClH/c2-1(3)4;1-2;;/h(H4,2,3,4);1H;2*1H
InChIKeySLGACHJMKAPSMW-UHFFFAOYSA-N
XLogP0.01
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.00
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of formonitrile;urea;dihydrochloride?
The IUPAC name of formonitrile;urea;dihydrochloride (CID 174786205) is formonitrile;urea;dihydrochloride.
What is the SMILES notation for formonitrile;urea;dihydrochloride?
The canonical SMILES for formonitrile;urea;dihydrochloride is C#N.Cl.Cl.NC(N)=O.
What is the InChIKey of formonitrile;urea;dihydrochloride?
The InChIKey is SLGACHJMKAPSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.CHN.2ClH/c2-1(3)4;1-2;;/h(H4,2,3,4);1H;2*1H.
What are the key properties of formonitrile;urea;dihydrochloride?
formonitrile;urea;dihydrochloride has a molecular weight of 160.00 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;urea;dihydrochloride is sourced from PubChem (CID 174786205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).