azane;phthalic acid;hydrochloride

C8H16ClN3O4 — CID 175440203

IUPACazane;phthalic acid;hydrochloride
SMILESCl.N.N.N.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.ClH.3H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);1H;3*1H3
InChIKeyRNDVWASRPMZYLW-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.99
Rot. Bonds2

About azane;phthalic acid;hydrochloride

azane;phthalic acid;hydrochloride (PubChem CID 175440203) has the molecular formula C8H16ClN3O4 and a molecular weight of 253.69 g/mol. Its IUPAC name is azane;phthalic acid;hydrochloride.

Molecular Properties

Compound Nameazane;phthalic acid;hydrochloride
PubChem CID175440203
Molecular FormulaC8H16ClN3O4
Molecular Weight253.69 g/mol
Exact Mass253.08
IUPAC Nameazane;phthalic acid;hydrochloride
SMILESCl.N.N.N.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.ClH.3H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);1H;3*1H3
InChIKeyRNDVWASRPMZYLW-UHFFFAOYSA-N
XLogP1.99
TPSA179.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azane;phthalic acid;hydrochloride?
The IUPAC name of azane;phthalic acid;hydrochloride (CID 175440203) is azane;phthalic acid;hydrochloride.
What is the SMILES notation for azane;phthalic acid;hydrochloride?
The canonical SMILES for azane;phthalic acid;hydrochloride is Cl.N.N.N.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of azane;phthalic acid;hydrochloride?
The InChIKey is RNDVWASRPMZYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.ClH.3H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);1H;3*1H3.
What are the key properties of azane;phthalic acid;hydrochloride?
azane;phthalic acid;hydrochloride has a molecular weight of 253.69 g/mol, XLogP of 1.99, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phthalic acid;hydrochloride is sourced from PubChem (CID 175440203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).