N-methylphthalazin-1-amine;hydrochloride

C9H10ClN3 — CID 131709167

IUPACN-methylphthalazin-1-amine;hydrochloride
SMILESCNc1nncc2ccccc12.Cl
InChIInChI=1S/C9H9N3.ClH/c1-10-9-8-5-3-2-4-7(8)6-11-12-9;/h2-6H,1H3,(H,10,12);1H
InChIKeyGRRXUTATUJXPLW-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.09
Rot. Bonds1

About N-methylphthalazin-1-amine;hydrochloride

N-methylphthalazin-1-amine;hydrochloride (PubChem CID 131709167) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is N-methylphthalazin-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methylphthalazin-1-amine;hydrochloride
PubChem CID131709167
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC NameN-methylphthalazin-1-amine;hydrochloride
SMILESCNc1nncc2ccccc12.Cl
InChIInChI=1S/C9H9N3.ClH/c1-10-9-8-5-3-2-4-7(8)6-11-12-9;/h2-6H,1H3,(H,10,12);1H
InChIKeyGRRXUTATUJXPLW-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylphthalazin-1-amine;hydrochloride?
The IUPAC name of N-methylphthalazin-1-amine;hydrochloride (CID 131709167) is N-methylphthalazin-1-amine;hydrochloride.
What is the SMILES notation for N-methylphthalazin-1-amine;hydrochloride?
The canonical SMILES for N-methylphthalazin-1-amine;hydrochloride is CNc1nncc2ccccc12.Cl.
What is the InChIKey of N-methylphthalazin-1-amine;hydrochloride?
The InChIKey is GRRXUTATUJXPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.ClH/c1-10-9-8-5-3-2-4-7(8)6-11-12-9;/h2-6H,1H3,(H,10,12);1H.
What are the key properties of N-methylphthalazin-1-amine;hydrochloride?
N-methylphthalazin-1-amine;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylphthalazin-1-amine;hydrochloride is sourced from PubChem (CID 131709167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).