3a,7a-dihydro-3H-indazole

C7H8N2 — CID 89027644

IUPAC3a,7a-dihydro-3H-indazole
SMILESC1=CC2CN=NC2C=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1-4,6-7H,5H2
InChIKeySRYVOCBUQOJCMQ-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.56
Rot. Bonds

About 3a,7a-dihydro-3H-indazole

3a,7a-dihydro-3H-indazole (PubChem CID 89027644) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3a,7a-dihydro-3H-indazole.

Molecular Properties

Compound Name3a,7a-dihydro-3H-indazole
PubChem CID89027644
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3a,7a-dihydro-3H-indazole
SMILESC1=CC2CN=NC2C=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1-4,6-7H,5H2
InChIKeySRYVOCBUQOJCMQ-UHFFFAOYSA-N
XLogP1.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-3H-indazole?
The IUPAC name of 3a,7a-dihydro-3H-indazole (CID 89027644) is 3a,7a-dihydro-3H-indazole.
What is the SMILES notation for 3a,7a-dihydro-3H-indazole?
The canonical SMILES for 3a,7a-dihydro-3H-indazole is C1=CC2CN=NC2C=C1.
What is the InChIKey of 3a,7a-dihydro-3H-indazole?
The InChIKey is SRYVOCBUQOJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1-4,6-7H,5H2.
What are the key properties of 3a,7a-dihydro-3H-indazole?
3a,7a-dihydro-3H-indazole has a molecular weight of 120.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-3H-indazole is sourced from PubChem (CID 89027644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).