6-methoxyphthalazin-1-amine

C9H9N3O — CID 130119690

IUPAC6-methoxyphthalazin-1-amine
SMILESCOc1ccc2c(N)nncc2c1
InChIInChI=1S/C9H9N3O/c1-13-7-2-3-8-6(4-7)5-11-12-9(8)10/h2-5H,1H3,(H2,10,12)
InChIKeyBPLRKVLNIKTJLH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.22
Rot. Bonds1

About 6-methoxyphthalazin-1-amine

6-methoxyphthalazin-1-amine (PubChem CID 130119690) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-methoxyphthalazin-1-amine.

Molecular Properties

Compound Name6-methoxyphthalazin-1-amine
PubChem CID130119690
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name6-methoxyphthalazin-1-amine
SMILESCOc1ccc2c(N)nncc2c1
InChIInChI=1S/C9H9N3O/c1-13-7-2-3-8-6(4-7)5-11-12-9(8)10/h2-5H,1H3,(H2,10,12)
InChIKeyBPLRKVLNIKTJLH-UHFFFAOYSA-N
XLogP1.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,7-dimethoxyphthalazine
CID 119093543
6-methoxy-4-methylphthalazin-1-amine
CID 170258561
1-chloro-7-methoxyphthalazine
CID 15271578
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
4-bromo-6-methoxyisoquinolin-1-amine
CID 84707747
6-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine
CID 59242031
7-methoxy-4-propan-2-ylcinnoline
CID 164758055
6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine
CID 71027685
4,6-dimethoxycinnoline
CID 134989956
7-methoxy-4-methylquinolin-2-amine
CID 53485904
4-bromo-6-methoxycinnoline
CID 53415017
5-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine
CID 122237679

Frequently Asked Questions

What is the IUPAC name of 6-methoxyphthalazin-1-amine?
The IUPAC name of 6-methoxyphthalazin-1-amine (CID 130119690) is 6-methoxyphthalazin-1-amine.
What is the SMILES notation for 6-methoxyphthalazin-1-amine?
The canonical SMILES for 6-methoxyphthalazin-1-amine is COc1ccc2c(N)nncc2c1.
What is the InChIKey of 6-methoxyphthalazin-1-amine?
The InChIKey is BPLRKVLNIKTJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-7-2-3-8-6(4-7)5-11-12-9(8)10/h2-5H,1H3,(H2,10,12).
What are the key properties of 6-methoxyphthalazin-1-amine?
6-methoxyphthalazin-1-amine has a molecular weight of 175.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyphthalazin-1-amine is sourced from PubChem (CID 130119690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).