4-chloro-N-cyclopentylphthalazin-1-amine

C13H14ClN3 — CID 62140614

IUPAC4-chloro-N-cyclopentylphthalazin-1-amine
SMILESClc1nnc(NC2CCCC2)c2ccccc12
InChIInChI=1S/C13H14ClN3/c14-12-10-7-3-4-8-11(10)13(17-16-12)15-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,15,17)
InChIKeyAYQRRYUPNXHZDP-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.64
Rot. Bonds2

About 4-chloro-N-cyclopentylphthalazin-1-amine

4-chloro-N-cyclopentylphthalazin-1-amine (PubChem CID 62140614) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-N-cyclopentylphthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopentylphthalazin-1-amine
PubChem CID62140614
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-N-cyclopentylphthalazin-1-amine
SMILESClc1nnc(NC2CCCC2)c2ccccc12
InChIInChI=1S/C13H14ClN3/c14-12-10-7-3-4-8-11(10)13(17-16-12)15-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,15,17)
InChIKeyAYQRRYUPNXHZDP-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol
CID 167292889
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
4-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)phthalazin-1-amine
CID 62843915
N-cyclohexyl-4-thiophen-2-ylphthalazin-1-amine
CID 704890
4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine
CID 62141541
ethyl (1S,5S)-3-[(4-chlorophthalazin-1-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58188852
1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 168973381
3-(4-chlorophenyl)-N-cyclohexylisoquinolin-1-amine
CID 53475014
2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide
CID 62141548
3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
CID 81035319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentylphthalazin-1-amine?
The IUPAC name of 4-chloro-N-cyclopentylphthalazin-1-amine (CID 62140614) is 4-chloro-N-cyclopentylphthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-cyclopentylphthalazin-1-amine?
The canonical SMILES for 4-chloro-N-cyclopentylphthalazin-1-amine is Clc1nnc(NC2CCCC2)c2ccccc12.
What is the InChIKey of 4-chloro-N-cyclopentylphthalazin-1-amine?
The InChIKey is AYQRRYUPNXHZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-12-10-7-3-4-8-11(10)13(17-16-12)15-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,15,17).
What are the key properties of 4-chloro-N-cyclopentylphthalazin-1-amine?
4-chloro-N-cyclopentylphthalazin-1-amine has a molecular weight of 247.73 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentylphthalazin-1-amine is sourced from PubChem (CID 62140614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).