4-methylphthalazin-1-amine

C9H9N3 — CID 6401334

IUPAC4-methylphthalazin-1-amine
SMILESCc1nnc(N)c2ccccc12
InChIInChI=1S/C9H9N3/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3,(H2,10,12)
InChIKeyAQHQGNYQXCIWDG-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.52
Rot. Bonds

About 4-methylphthalazin-1-amine

4-methylphthalazin-1-amine (PubChem CID 6401334) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-methylphthalazin-1-amine.

Molecular Properties

Compound Name4-methylphthalazin-1-amine
PubChem CID6401334
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name4-methylphthalazin-1-amine
SMILESCc1nnc(N)c2ccccc12
InChIInChI=1S/C9H9N3/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3,(H2,10,12)
InChIKeyAQHQGNYQXCIWDG-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylphthalazin-1-amine?
The IUPAC name of 4-methylphthalazin-1-amine (CID 6401334) is 4-methylphthalazin-1-amine.
What is the SMILES notation for 4-methylphthalazin-1-amine?
The canonical SMILES for 4-methylphthalazin-1-amine is Cc1nnc(N)c2ccccc12.
What is the InChIKey of 4-methylphthalazin-1-amine?
The InChIKey is AQHQGNYQXCIWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3,(H2,10,12).
What are the key properties of 4-methylphthalazin-1-amine?
4-methylphthalazin-1-amine has a molecular weight of 159.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphthalazin-1-amine is sourced from PubChem (CID 6401334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).