1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole

C10H12N2 — CID 66862789

IUPAC1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole
SMILESC1=CC2CC3CNNC3=CC2=C1
InChIInChI=1S/C10H12N2/c1-2-7-4-9-6-11-12-10(9)5-8(7)3-1/h1-3,5,7,9,11-12H,4,6H2
InChIKeySHKJJTBEUBHBKK-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.11
Rot. Bonds

About 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole

1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole (PubChem CID 66862789) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole.

Molecular Properties

Compound Name1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole
PubChem CID66862789
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole
SMILESC1=CC2CC3CNNC3=CC2=C1
InChIInChI=1S/C10H12N2/c1-2-7-4-9-6-11-12-10(9)5-8(7)3-1/h1-3,5,7,9,11-12H,4,6H2
InChIKeySHKJJTBEUBHBKK-UHFFFAOYSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole?
The IUPAC name of 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole (CID 66862789) is 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole.
What is the SMILES notation for 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole?
The canonical SMILES for 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole is C1=CC2CC3CNNC3=CC2=C1.
What is the InChIKey of 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole?
The InChIKey is SHKJJTBEUBHBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-7-4-9-6-11-12-10(9)5-8(7)3-1/h1-3,5,7,9,11-12H,4,6H2.
What are the key properties of 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole?
1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole has a molecular weight of 160.22 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indazole is sourced from PubChem (CID 66862789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).