2,7-dimethyl-6-propan-2-ylindazole

C12H16N2 — CID 168725075

IUPAC2,7-dimethyl-6-propan-2-ylindazole
SMILESCc1c(C(C)C)ccc2cn(C)nc12
InChIInChI=1S/C12H16N2/c1-8(2)11-6-5-10-7-14(4)13-12(10)9(11)3/h5-8H,1-4H3
InChIKeyCMNBTZGCMIIUCU-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.01
Rot. Bonds1

About 2,7-dimethyl-6-propan-2-ylindazole

2,7-dimethyl-6-propan-2-ylindazole (PubChem CID 168725075) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,7-dimethyl-6-propan-2-ylindazole.

Molecular Properties

Compound Name2,7-dimethyl-6-propan-2-ylindazole
PubChem CID168725075
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,7-dimethyl-6-propan-2-ylindazole
SMILESCc1c(C(C)C)ccc2cn(C)nc12
InChIInChI=1S/C12H16N2/c1-8(2)11-6-5-10-7-14(4)13-12(10)9(11)3/h5-8H,1-4H3
InChIKeyCMNBTZGCMIIUCU-UHFFFAOYSA-N
XLogP3.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6-propan-2-ylindazole?
The IUPAC name of 2,7-dimethyl-6-propan-2-ylindazole (CID 168725075) is 2,7-dimethyl-6-propan-2-ylindazole.
What is the SMILES notation for 2,7-dimethyl-6-propan-2-ylindazole?
The canonical SMILES for 2,7-dimethyl-6-propan-2-ylindazole is Cc1c(C(C)C)ccc2cn(C)nc12.
What is the InChIKey of 2,7-dimethyl-6-propan-2-ylindazole?
The InChIKey is CMNBTZGCMIIUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8(2)11-6-5-10-7-14(4)13-12(10)9(11)3/h5-8H,1-4H3.
What are the key properties of 2,7-dimethyl-6-propan-2-ylindazole?
2,7-dimethyl-6-propan-2-ylindazole has a molecular weight of 188.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6-propan-2-ylindazole is sourced from PubChem (CID 168725075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).