2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol

C14H17N3O — CID 114757162

IUPAC2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2nncc3ccccc23)CC1
InChIInChI=1S/C14H17N3O/c18-8-7-14(5-6-14)10-15-13-12-4-2-1-3-11(12)9-16-17-13/h1-4,9,18H,5-8,10H2,(H,15,17)
InChIKeyKGUDIMSRJSPUNC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds5

About 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol

2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol (PubChem CID 114757162) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol
PubChem CID114757162
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2nncc3ccccc23)CC1
InChIInChI=1S/C14H17N3O/c18-8-7-14(5-6-14)10-15-13-12-4-2-1-3-11(12)9-16-17-13/h1-4,9,18H,5-8,10H2,(H,15,17)
InChIKeyKGUDIMSRJSPUNC-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol (CID 114757162) is 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol is OCCC1(CNc2nncc3ccccc23)CC1.
What is the InChIKey of 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol?
The InChIKey is KGUDIMSRJSPUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-8-7-14(5-6-14)10-15-13-12-4-2-1-3-11(12)9-16-17-13/h1-4,9,18H,5-8,10H2,(H,15,17).
What are the key properties of 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol?
2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol has a molecular weight of 243.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114757162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).