azane;formonitrile;hydrochloride

CH11ClN4 — CID 141442410

IUPACazane;formonitrile;hydrochloride
SMILESC#N.Cl.N.N.N
InChIInChI=1S/CHN.ClH.3H3N/c1-2;;;;/h1H;1H;3*1H3
InChIKeyDMUUCOUMMZGBOG-UHFFFAOYSA-N
MW114.58 g/mol
LogP1.05
Rot. Bonds

About azane;formonitrile;hydrochloride

azane;formonitrile;hydrochloride (PubChem CID 141442410) has the molecular formula CH11ClN4 and a molecular weight of 114.58 g/mol. Its IUPAC name is azane;formonitrile;hydrochloride.

Molecular Properties

Compound Nameazane;formonitrile;hydrochloride
PubChem CID141442410
Molecular FormulaCH11ClN4
Molecular Weight114.58 g/mol
Exact Mass114.07
IUPAC Nameazane;formonitrile;hydrochloride
SMILESC#N.Cl.N.N.N
InChIInChI=1S/CHN.ClH.3H3N/c1-2;;;;/h1H;1H;3*1H3
InChIKeyDMUUCOUMMZGBOG-UHFFFAOYSA-N
XLogP1.05
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.58
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;formonitrile;hydrochloride?
The IUPAC name of azane;formonitrile;hydrochloride (CID 141442410) is azane;formonitrile;hydrochloride.
What is the SMILES notation for azane;formonitrile;hydrochloride?
The canonical SMILES for azane;formonitrile;hydrochloride is C#N.Cl.N.N.N.
What is the InChIKey of azane;formonitrile;hydrochloride?
The InChIKey is DMUUCOUMMZGBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN.ClH.3H3N/c1-2;;;;/h1H;1H;3*1H3.
What are the key properties of azane;formonitrile;hydrochloride?
azane;formonitrile;hydrochloride has a molecular weight of 114.58 g/mol, XLogP of 1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;formonitrile;hydrochloride is sourced from PubChem (CID 141442410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).