2,4-dihydro-1H-indazole

C7H8N2 — CID 90911947

IUPAC2,4-dihydro-1H-indazole
SMILESC1=CCC2=CNNC2=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4-5,8-9H,3H2
InChIKeyMUHKBBQPUUBMAM-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.82
Rot. Bonds

About 2,4-dihydro-1H-indazole

2,4-dihydro-1H-indazole (PubChem CID 90911947) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2,4-dihydro-1H-indazole.

Molecular Properties

Compound Name2,4-dihydro-1H-indazole
PubChem CID90911947
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2,4-dihydro-1H-indazole
SMILESC1=CCC2=CNNC2=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4-5,8-9H,3H2
InChIKeyMUHKBBQPUUBMAM-UHFFFAOYSA-N
XLogP0.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-indazole?
The IUPAC name of 2,4-dihydro-1H-indazole (CID 90911947) is 2,4-dihydro-1H-indazole.
What is the SMILES notation for 2,4-dihydro-1H-indazole?
The canonical SMILES for 2,4-dihydro-1H-indazole is C1=CCC2=CNNC2=C1.
What is the InChIKey of 2,4-dihydro-1H-indazole?
The InChIKey is MUHKBBQPUUBMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4-5,8-9H,3H2.
What are the key properties of 2,4-dihydro-1H-indazole?
2,4-dihydro-1H-indazole has a molecular weight of 120.15 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-indazole is sourced from PubChem (CID 90911947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).