6-prop-1-en-2-yl-3H-indazole

C10H10N2 — CID 145472027

IUPAC6-prop-1-en-2-yl-3H-indazole
SMILESC=C(C)c1ccc2c(c1)N=NC2
InChIInChI=1S/C10H10N2/c1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3-5H,1,6H2,2H3
InChIKeyRVJOLDLTBHSPSJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP3.32
Rot. Bonds1

About 6-prop-1-en-2-yl-3H-indazole

6-prop-1-en-2-yl-3H-indazole (PubChem CID 145472027) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-prop-1-en-2-yl-3H-indazole.

Molecular Properties

Compound Name6-prop-1-en-2-yl-3H-indazole
PubChem CID145472027
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name6-prop-1-en-2-yl-3H-indazole
SMILESC=C(C)c1ccc2c(c1)N=NC2
InChIInChI=1S/C10H10N2/c1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3-5H,1,6H2,2H3
InChIKeyRVJOLDLTBHSPSJ-UHFFFAOYSA-N
XLogP3.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-prop-1-en-2-yl-3H-indazole?
The IUPAC name of 6-prop-1-en-2-yl-3H-indazole (CID 145472027) is 6-prop-1-en-2-yl-3H-indazole.
What is the SMILES notation for 6-prop-1-en-2-yl-3H-indazole?
The canonical SMILES for 6-prop-1-en-2-yl-3H-indazole is C=C(C)c1ccc2c(c1)N=NC2.
What is the InChIKey of 6-prop-1-en-2-yl-3H-indazole?
The InChIKey is RVJOLDLTBHSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3-5H,1,6H2,2H3.
What are the key properties of 6-prop-1-en-2-yl-3H-indazole?
6-prop-1-en-2-yl-3H-indazole has a molecular weight of 158.20 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-en-2-yl-3H-indazole is sourced from PubChem (CID 145472027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).