1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol

C15H19N3O — CID 61221861

IUPAC1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nnc(NCC2(O)CCCC2)c2ccccc12
InChIInChI=1S/C15H19N3O/c1-11-12-6-2-3-7-13(12)14(18-17-11)16-10-15(19)8-4-5-9-15/h2-3,6-7,19H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyCVFHKXASOMKOSA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.66
Rot. Bonds3

About 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol

1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 61221861) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol
PubChem CID61221861
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nnc(NCC2(O)CCCC2)c2ccccc12
InChIInChI=1S/C15H19N3O/c1-11-12-6-2-3-7-13(12)14(18-17-11)16-10-15(19)8-4-5-9-15/h2-3,6-7,19H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyCVFHKXASOMKOSA-UHFFFAOYSA-N
XLogP2.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol (CID 61221861) is 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol is Cc1nnc(NCC2(O)CCCC2)c2ccccc12.
What is the InChIKey of 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is CVFHKXASOMKOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-12-6-2-3-7-13(12)14(18-17-11)16-10-15(19)8-4-5-9-15/h2-3,6-7,19H,4-5,8-10H2,1H3,(H,16,18).
What are the key properties of 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol?
1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 61221861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).