4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine

C17H16N4 — CID 79722455

IUPAC4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine
SMILESCNc1nnc(C2CCc3cccnc32)c2ccccc12
InChIInChI=1S/C17H16N4/c1-18-17-13-7-3-2-6-12(13)16(20-21-17)14-9-8-11-5-4-10-19-15(11)14/h2-7,10,14H,8-9H2,1H3,(H,18,21)
InChIKeyAAWNUZPEQCKCRE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.14
Rot. Bonds2

About 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine (PubChem CID 79722455) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine
PubChem CID79722455
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine
SMILESCNc1nnc(C2CCc3cccnc32)c2ccccc12
InChIInChI=1S/C17H16N4/c1-18-17-13-7-3-2-6-12(13)16(20-21-17)14-9-8-11-5-4-10-19-15(11)14/h2-7,10,14H,8-9H2,1H3,(H,18,21)
InChIKeyAAWNUZPEQCKCRE-UHFFFAOYSA-N
XLogP3.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylpyridazin-3-amine
CID 79740307
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739169
N-methyl-5-propyl-6-(5,6,7,8-tetrahydroquinolin-8-yl)pyrimidin-4-amine
CID 79722748
1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine
CID 79739958
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 79739582
N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine
CID 79739248
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79748066
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine
CID 102753592
7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739769
N-methyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 102824855
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine (CID 79722455) is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine is CNc1nnc(C2CCc3cccnc32)c2ccccc12.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine?
The InChIKey is AAWNUZPEQCKCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-18-17-13-7-3-2-6-12(13)16(20-21-17)14-9-8-11-5-4-10-19-15(11)14/h2-7,10,14H,8-9H2,1H3,(H,18,21).
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine?
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine has a molecular weight of 276.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine is sourced from PubChem (CID 79722455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).