azane;1,2,4-trimethylbenzene;hydrochloride

C9H16ClN — CID 174988554

IUPACazane;1,2,4-trimethylbenzene;hydrochloride
SMILESCc1ccc(C)c(C)c1.Cl.N
InChIInChI=1S/C9H12.ClH.H3N/c1-7-4-5-8(2)9(3)6-7;;/h4-6H,1-3H3;1H;1H3
InChIKeyPHKOHFHAJHSNNL-UHFFFAOYSA-N
MW173.69 g/mol
LogP3.20
Rot. Bonds

About azane;1,2,4-trimethylbenzene;hydrochloride

azane;1,2,4-trimethylbenzene;hydrochloride (PubChem CID 174988554) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is azane;1,2,4-trimethylbenzene;hydrochloride.

Molecular Properties

Compound Nameazane;1,2,4-trimethylbenzene;hydrochloride
PubChem CID174988554
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Nameazane;1,2,4-trimethylbenzene;hydrochloride
SMILESCc1ccc(C)c(C)c1.Cl.N
InChIInChI=1S/C9H12.ClH.H3N/c1-7-4-5-8(2)9(3)6-7;;/h4-6H,1-3H3;1H;1H3
InChIKeyPHKOHFHAJHSNNL-UHFFFAOYSA-N
XLogP3.20
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;1,2,4-trimethylbenzene;hydrochloride?
The IUPAC name of azane;1,2,4-trimethylbenzene;hydrochloride (CID 174988554) is azane;1,2,4-trimethylbenzene;hydrochloride.
What is the SMILES notation for azane;1,2,4-trimethylbenzene;hydrochloride?
The canonical SMILES for azane;1,2,4-trimethylbenzene;hydrochloride is Cc1ccc(C)c(C)c1.Cl.N.
What is the InChIKey of azane;1,2,4-trimethylbenzene;hydrochloride?
The InChIKey is PHKOHFHAJHSNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.ClH.H3N/c1-7-4-5-8(2)9(3)6-7;;/h4-6H,1-3H3;1H;1H3.
What are the key properties of azane;1,2,4-trimethylbenzene;hydrochloride?
azane;1,2,4-trimethylbenzene;hydrochloride has a molecular weight of 173.69 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,2,4-trimethylbenzene;hydrochloride is sourced from PubChem (CID 174988554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).