1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol

C14H20N4O — CID 104594455

IUPAC1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol
SMILESCc1nnc(NCCNCC(C)O)c2ccccc12
InChIInChI=1S/C14H20N4O/c1-10(19)9-15-7-8-16-14-13-6-4-3-5-12(13)11(2)17-18-14/h3-6,10,15,19H,7-9H2,1-2H3,(H,16,18)
InChIKeyLKCCTVMETFKNKM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.32
Rot. Bonds6

About 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol

1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol (PubChem CID 104594455) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol
PubChem CID104594455
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol
SMILESCc1nnc(NCCNCC(C)O)c2ccccc12
InChIInChI=1S/C14H20N4O/c1-10(19)9-15-7-8-16-14-13-6-4-3-5-12(13)11(2)17-18-14/h3-6,10,15,19H,7-9H2,1-2H3,(H,16,18)
InChIKeyLKCCTVMETFKNKM-UHFFFAOYSA-N
XLogP1.32
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol (CID 104594455) is 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol is Cc1nnc(NCCNCC(C)O)c2ccccc12.
What is the InChIKey of 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol?
The InChIKey is LKCCTVMETFKNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(19)9-15-7-8-16-14-13-6-4-3-5-12(13)11(2)17-18-14/h3-6,10,15,19H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol?
1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 104594455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).