3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine

C12H17ClN4 — CID 71302734

IUPAC3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine
SMILESNC1CCC2NNC(c3cncc(Cl)c3)C2C1
InChIInChI=1S/C12H17ClN4/c13-8-3-7(5-15-6-8)12-10-4-9(14)1-2-11(10)16-17-12/h3,5-6,9-12,16-17H,1-2,4,14H2
InChIKeyFMYZFVKBIZFHHR-UHFFFAOYSA-N
MW252.75 g/mol
LogP1.38
Rot. Bonds1

About 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine

3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine (PubChem CID 71302734) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine
PubChem CID71302734
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine
SMILESNC1CCC2NNC(c3cncc(Cl)c3)C2C1
InChIInChI=1S/C12H17ClN4/c13-8-3-7(5-15-6-8)12-10-4-9(14)1-2-11(10)16-17-12/h3,5-6,9-12,16-17H,1-2,4,14H2
InChIKeyFMYZFVKBIZFHHR-UHFFFAOYSA-N
XLogP1.38
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine with MolForge

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Related Compounds

2-(5-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 22468080
2-(5,6-Dichloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44299196
(2R)-2-(5-chloro-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 44362178
(2R)-2-(5,6-dichloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 44362502
2-Chloro-3-methyl-5-(pyrrolidin-2-yl)pyridine
CID 53838420
2-(6-chloro-5-fluoro-3-pyridinyl)-N-methylpyrrolidin-1-amine
CID 88090778
(2S)-2-(6-chloro-5-fluoro-3-pyridinyl)-N-methylpyrrolidin-1-amine
CID 145863302
(2R)-2-(6-chloro-5-fluoro-3-pyridinyl)-N-methylpyrrolidin-1-amine
CID 145863362
4-chloro-3-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 165112662
3-[2-(4-chlorophenyl)ethyl]-6-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 171362534
3-[2-(6-chloro-3-pyridinyl)ethyl]-6-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 171362535
(1R,2R,4S)-2-(5-chloro-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11085509

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
The IUPAC name of 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine (CID 71302734) is 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine.
What is the SMILES notation for 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
The canonical SMILES for 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine is NC1CCC2NNC(c3cncc(Cl)c3)C2C1.
What is the InChIKey of 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
The InChIKey is FMYZFVKBIZFHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c13-8-3-7(5-15-6-8)12-10-4-9(14)1-2-11(10)16-17-12/h3,5-6,9-12,16-17H,1-2,4,14H2.
What are the key properties of 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine?
3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine has a molecular weight of 252.75 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine is sourced from PubChem (CID 71302734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).