4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine

C14H12ClN3S — CID 107360998

IUPAC4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine
SMILESCCNc1nnc(-c2sccc2Cl)c2ccccc12
InChIInChI=1S/C14H12ClN3S/c1-2-16-14-10-6-4-3-5-9(10)12(17-18-14)13-11(15)7-8-19-13/h3-8H,2H2,1H3,(H,16,18)
InChIKeyJHKYDDBPIROMFU-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.44
Rot. Bonds3

About 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine

4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine (PubChem CID 107360998) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine
PubChem CID107360998
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine
SMILESCCNc1nnc(-c2sccc2Cl)c2ccccc12
InChIInChI=1S/C14H12ClN3S/c1-2-16-14-10-6-4-3-5-9(10)12(17-18-14)13-11(15)7-8-19-13/h3-8H,2H2,1H3,(H,16,18)
InChIKeyJHKYDDBPIROMFU-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine
CID 79991770
1-chloro-4-(3-chlorothiophen-2-yl)phthalazine
CID 80529354
4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine
CID 107361114
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 107361086
6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine
CID 80648476
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
CID 107361110
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine
CID 82191464
N-benzyl-4-thiophen-2-ylphthalazin-1-amine
CID 6401108
1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine
CID 19699654

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine (CID 107360998) is 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine is CCNc1nnc(-c2sccc2Cl)c2ccccc12.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine?
The InChIKey is JHKYDDBPIROMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-2-16-14-10-6-4-3-5-9(10)12(17-18-14)13-11(15)7-8-19-13/h3-8H,2H2,1H3,(H,16,18).
What are the key properties of 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine?
4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine has a molecular weight of 289.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine is sourced from PubChem (CID 107360998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).