(7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole

C10H16N2 — CID 126629494

IUPAC(7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole
SMILESCC1=C[C@@H](C)C2C(C=NN2C)C1
InChIInChI=1S/C10H16N2/c1-7-4-8(2)10-9(5-7)6-11-12(10)3/h4,6,8-10H,5H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyKDFNTEUVSGKVHL-XNWIYYODSA-N
MW164.25 g/mol
LogP1.89
Rot. Bonds

About (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole

(7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole (PubChem CID 126629494) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole.

Molecular Properties

Compound Name(7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole
PubChem CID126629494
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole
SMILESCC1=C[C@@H](C)C2C(C=NN2C)C1
InChIInChI=1S/C10H16N2/c1-7-4-8(2)10-9(5-7)6-11-12(10)3/h4,6,8-10H,5H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyKDFNTEUVSGKVHL-XNWIYYODSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole?
The IUPAC name of (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole (CID 126629494) is (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole.
What is the SMILES notation for (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole?
The canonical SMILES for (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole is CC1=C[C@@H](C)C2C(C=NN2C)C1.
What is the InChIKey of (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole?
The InChIKey is KDFNTEUVSGKVHL-XNWIYYODSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-4-8(2)10-9(5-7)6-11-12(10)3/h4,6,8-10H,5H2,1-3H3/t8-,9?,10?/m1/s1.
What are the key properties of (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole?
(7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole has a molecular weight of 164.25 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1,5,7-trimethyl-3a,4,7,7a-tetrahydroindazole is sourced from PubChem (CID 126629494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).