7-(oxolan-3-yloxy)phthalazin-1-amine

C12H13N3O2 — CID 170159948

IUPAC7-(oxolan-3-yloxy)phthalazin-1-amine
SMILESNc1nncc2ccc(OC3CCOC3)cc12
InChIInChI=1S/C12H13N3O2/c13-12-11-5-9(17-10-3-4-16-7-10)2-1-8(11)6-14-15-12/h1-2,5-6,10H,3-4,7H2,(H2,13,15)
InChIKeyCJKQHFFKOCHXBP-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.38
Rot. Bonds2

About 7-(oxolan-3-yloxy)phthalazin-1-amine

7-(oxolan-3-yloxy)phthalazin-1-amine (PubChem CID 170159948) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7-(oxolan-3-yloxy)phthalazin-1-amine.

Molecular Properties

Compound Name7-(oxolan-3-yloxy)phthalazin-1-amine
PubChem CID170159948
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name7-(oxolan-3-yloxy)phthalazin-1-amine
SMILESNc1nncc2ccc(OC3CCOC3)cc12
InChIInChI=1S/C12H13N3O2/c13-12-11-5-9(17-10-3-4-16-7-10)2-1-8(11)6-14-15-12/h1-2,5-6,10H,3-4,7H2,(H2,13,15)
InChIKeyCJKQHFFKOCHXBP-UHFFFAOYSA-N
XLogP1.38
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Hydralazine 4-anisaldehyde hydrazone
CID 9576791
6,7-Dimethoxyphthalazine
CID 6415616
N-[(E)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino]phthalazin-1-amine
CID 127051479
6-Methoxyphthalazine
CID 22114751
(4-Methoxyphenyl)methyl-phthalazin-1-yldiazene
CID 90872410
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]phthalazin-1-amine
CID 9649412
N-[(E)-(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 9713783
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]phthalazin-1-amine
CID 6815292
N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 124095
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)phthalazin-1-amine
CID 4145123
1,4-Bis(2-(3,4-diethoxybenzylidene)hydrazinyl)phthalazine
CID 9568384
(7-Methoxyphthalazin-1-yl)hydrazine;hydrochloride
CID 24191733

Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-3-yloxy)phthalazin-1-amine?
The IUPAC name of 7-(oxolan-3-yloxy)phthalazin-1-amine (CID 170159948) is 7-(oxolan-3-yloxy)phthalazin-1-amine.
What is the SMILES notation for 7-(oxolan-3-yloxy)phthalazin-1-amine?
The canonical SMILES for 7-(oxolan-3-yloxy)phthalazin-1-amine is Nc1nncc2ccc(OC3CCOC3)cc12.
What is the InChIKey of 7-(oxolan-3-yloxy)phthalazin-1-amine?
The InChIKey is CJKQHFFKOCHXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-12-11-5-9(17-10-3-4-16-7-10)2-1-8(11)6-14-15-12/h1-2,5-6,10H,3-4,7H2,(H2,13,15).
What are the key properties of 7-(oxolan-3-yloxy)phthalazin-1-amine?
7-(oxolan-3-yloxy)phthalazin-1-amine has a molecular weight of 231.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-3-yloxy)phthalazin-1-amine is sourced from PubChem (CID 170159948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).