[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol

C16H21N3O — CID 115360695

IUPAC[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1nnc(NCC2(CO)CCCC2)c2ccccc12
InChIInChI=1S/C16H21N3O/c1-12-13-6-2-3-7-14(13)15(19-18-12)17-10-16(11-20)8-4-5-9-16/h2-3,6-7,20H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyDWLPNXJSLGFSQV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds4

About [1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol

[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 115360695) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol
PubChem CID115360695
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1nnc(NCC2(CO)CCCC2)c2ccccc12
InChIInChI=1S/C16H21N3O/c1-12-13-6-2-3-7-14(13)15(19-18-12)17-10-16(11-20)8-4-5-9-16/h2-3,6-7,20H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyDWLPNXJSLGFSQV-UHFFFAOYSA-N
XLogP2.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol
CID 61221861
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine
CID 114759162
1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid
CID 61291976
[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol
CID 113294048
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
2-[(4-methylphthalazin-1-yl)amino]acetic acid
CID 43419809
[1-[(cinnolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360663
methyl 2-[(4-methylphthalazin-1-yl)amino]acetate
CID 43419766
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile
CID 115360612
N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine
CID 115689915
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965467
[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 115360754

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol (CID 115360695) is [1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol is Cc1nnc(NCC2(CO)CCCC2)c2ccccc12.
What is the InChIKey of [1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is DWLPNXJSLGFSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-13-6-2-3-7-14(13)15(19-18-12)17-10-16(11-20)8-4-5-9-16/h2-3,6-7,20H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of [1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.90, 4 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]cyclopentyl]methanol is sourced from PubChem (CID 115360695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).