5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine

C22H26N6 — CID 75297693

IUPAC5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine
SMILESNC1NNC2CCC(c3nnn(Cc4ccccc4)c3-c3ccccc3)CC12
InChIInChI=1S/C22H26N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-10,17-19,22,24,26H,11-14,23H2
InChIKeyTZQLUDQFUZIHCB-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.64
Rot. Bonds4

About 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine

5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine (PubChem CID 75297693) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine
PubChem CID75297693
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine
SMILESNC1NNC2CCC(c3nnn(Cc4ccccc4)c3-c3ccccc3)CC12
InChIInChI=1S/C22H26N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-10,17-19,22,24,26H,11-14,23H2
InChIKeyTZQLUDQFUZIHCB-UHFFFAOYSA-N
XLogP2.64
TPSA80.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine?
The IUPAC name of 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine (CID 75297693) is 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine.
What is the SMILES notation for 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine?
The canonical SMILES for 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine is NC1NNC2CCC(c3nnn(Cc4ccccc4)c3-c3ccccc3)CC12.
What is the InChIKey of 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine?
The InChIKey is TZQLUDQFUZIHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-10,17-19,22,24,26H,11-14,23H2.
What are the key properties of 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine?
5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine has a molecular weight of 374.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine is sourced from PubChem (CID 75297693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).