3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole

C15H23N5 — CID 131940049

IUPAC3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCCCCn1ncnc1CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C15H23N5/c1-2-3-10-20-15(16-11-17-20)9-8-14-12-6-4-5-7-13(12)18-19-14/h11H,2-10H2,1H3,(H,18,19)
InChIKeyCVLMSGZNQVTLAG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.47
Rot. Bonds6

About 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole

3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 131940049) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID131940049
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCCCCn1ncnc1CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C15H23N5/c1-2-3-10-20-15(16-11-17-20)9-8-14-12-6-4-5-7-13(12)18-19-14/h11H,2-10H2,1H3,(H,18,19)
InChIKeyCVLMSGZNQVTLAG-UHFFFAOYSA-N
XLogP2.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole 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 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole (CID 131940049) is 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole is CCCCn1ncnc1CCc1n[nH]c2c1CCCC2.
What is the InChIKey of 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is CVLMSGZNQVTLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-3-10-20-15(16-11-17-20)9-8-14-12-6-4-5-7-13(12)18-19-14/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole?
3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 273.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 131940049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).