2-(phthalazin-1-ylamino)ethanol

C10H11N3O — CID 2065587

IUPAC2-(phthalazin-1-ylamino)ethanol
SMILESOCCNc1nncc2ccccc12
InChIInChI=1S/C10H11N3O/c14-6-5-11-10-9-4-2-1-3-8(9)7-12-13-10/h1-4,7,14H,5-6H2,(H,11,13)
InChIKeyPCSBXYARHCTXLO-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.03
Rot. Bonds3

About 2-(phthalazin-1-ylamino)ethanol

2-(phthalazin-1-ylamino)ethanol (PubChem CID 2065587) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(phthalazin-1-ylamino)ethanol.

Molecular Properties

Compound Name2-(phthalazin-1-ylamino)ethanol
PubChem CID2065587
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(phthalazin-1-ylamino)ethanol
SMILESOCCNc1nncc2ccccc12
InChIInChI=1S/C10H11N3O/c14-6-5-11-10-9-4-2-1-3-8(9)7-12-13-10/h1-4,7,14H,5-6H2,(H,11,13)
InChIKeyPCSBXYARHCTXLO-UHFFFAOYSA-N
XLogP1.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258
2-(phthalazin-1-ylamino)acetamide
CID 43395562
2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol
CID 114757162
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine
CID 61220609
N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
CID 63767046
N-(3-phenylbutyl)phthalazin-1-amine
CID 62986988
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
methyl 6-(phthalazin-1-ylamino)hexanoate
CID 60631363
N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide
CID 115569585
N-(7-methyloctyl)phthalazin-1-amine
CID 107816205

Frequently Asked Questions

What is the IUPAC name of 2-(phthalazin-1-ylamino)ethanol?
The IUPAC name of 2-(phthalazin-1-ylamino)ethanol (CID 2065587) is 2-(phthalazin-1-ylamino)ethanol.
What is the SMILES notation for 2-(phthalazin-1-ylamino)ethanol?
The canonical SMILES for 2-(phthalazin-1-ylamino)ethanol is OCCNc1nncc2ccccc12.
What is the InChIKey of 2-(phthalazin-1-ylamino)ethanol?
The InChIKey is PCSBXYARHCTXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-6-5-11-10-9-4-2-1-3-8(9)7-12-13-10/h1-4,7,14H,5-6H2,(H,11,13).
What are the key properties of 2-(phthalazin-1-ylamino)ethanol?
2-(phthalazin-1-ylamino)ethanol has a molecular weight of 189.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phthalazin-1-ylamino)ethanol is sourced from PubChem (CID 2065587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).