6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole

C10H13ClN2 — CID 59514064

IUPAC6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole
SMILESCC1=NN(C)C2C(C)=C(Cl)C=CC12
InChIInChI=1S/C10H13ClN2/c1-6-9(11)5-4-8-7(2)12-13(3)10(6)8/h4-5,8,10H,1-3H3
InChIKeyVSQRZLDDDXEETE-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.38
Rot. Bonds

About 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole

6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole (PubChem CID 59514064) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole.

Molecular Properties

Compound Name6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole
PubChem CID59514064
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole
SMILESCC1=NN(C)C2C(C)=C(Cl)C=CC12
InChIInChI=1S/C10H13ClN2/c1-6-9(11)5-4-8-7(2)12-13(3)10(6)8/h4-5,8,10H,1-3H3
InChIKeyVSQRZLDDDXEETE-UHFFFAOYSA-N
XLogP2.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole?
The IUPAC name of 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole (CID 59514064) is 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole.
What is the SMILES notation for 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole?
The canonical SMILES for 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole is CC1=NN(C)C2C(C)=C(Cl)C=CC12.
What is the InChIKey of 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole?
The InChIKey is VSQRZLDDDXEETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-6-9(11)5-4-8-7(2)12-13(3)10(6)8/h4-5,8,10H,1-3H3.
What are the key properties of 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole?
6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole has a molecular weight of 196.68 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3,7-trimethyl-3a,7a-dihydroindazole is sourced from PubChem (CID 59514064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).