4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine

C14H17N3O — CID 115766804

IUPAC4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine
SMILESCc1nnc(NC2(C)CCOC2)c2ccccc12
InChIInChI=1S/C14H17N3O/c1-10-11-5-3-4-6-12(11)13(17-16-10)15-14(2)7-8-18-9-14/h3-6H,7-9H2,1-2H3,(H,15,17)
InChIKeyMTFQFCYURLRFOR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.53
Rot. Bonds2

About 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine

4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine (PubChem CID 115766804) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine
PubChem CID115766804
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine
SMILESCc1nnc(NC2(C)CCOC2)c2ccccc12
InChIInChI=1S/C14H17N3O/c1-10-11-5-3-4-6-12(11)13(17-16-10)15-14(2)7-8-18-9-14/h3-6H,7-9H2,1-2H3,(H,15,17)
InChIKeyMTFQFCYURLRFOR-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine?
The IUPAC name of 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine (CID 115766804) is 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine is Cc1nnc(NC2(C)CCOC2)c2ccccc12.
What is the InChIKey of 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine?
The InChIKey is MTFQFCYURLRFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-11-5-3-4-6-12(11)13(17-16-10)15-14(2)7-8-18-9-14/h3-6H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine?
4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyloxolan-3-yl)phthalazin-1-amine is sourced from PubChem (CID 115766804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).