4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine

C12H16N6 — CID 105231222

IUPAC4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
SMILESNNC(c1cn[nH]c1N)C1CCc2cccnc21
InChIInChI=1S/C12H16N6/c13-12-9(6-16-18-12)11(17-14)8-4-3-7-2-1-5-15-10(7)8/h1-2,5-6,8,11,17H,3-4,14H2,(H3,13,16,18)
InChIKeyPJCAKJISQOWTJP-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.62
Rot. Bonds3

About 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine

4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine (PubChem CID 105231222) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
PubChem CID105231222
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
SMILESNNC(c1cn[nH]c1N)C1CCc2cccnc21
InChIInChI=1S/C12H16N6/c13-12-9(6-16-18-12)11(17-14)8-4-3-7-2-1-5-15-10(7)8/h1-2,5-6,8,11,17H,3-4,14H2,(H3,13,16,18)
InChIKeyPJCAKJISQOWTJP-UHFFFAOYSA-N
XLogP0.62
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyridazin-4-yl)methyl]hydrazine
CID 105322052
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105321966
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105322018
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methylfuran-3-yl)methyl]hydrazine
CID 105269106
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-iodophenyl)methyl]hydrazine
CID 105321973
[(5-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105222197
[(4-bromothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105222545
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-difluoroethyl]hydrazine
CID 105265157
[(2-bromo-6-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105280455
[(2,6-difluoro-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105321987
[(3-bromo-5-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 107948367
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198346

Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine (CID 105231222) is 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine is NNC(c1cn[nH]c1N)C1CCc2cccnc21.
What is the InChIKey of 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine?
The InChIKey is PJCAKJISQOWTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-12-9(6-16-18-12)11(17-14)8-4-3-7-2-1-5-15-10(7)8/h1-2,5-6,8,11,17H,3-4,14H2,(H3,13,16,18).
What are the key properties of 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine?
4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine has a molecular weight of 244.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 105231222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).