[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone

C20H22N6O — CID 127688943

IUPAC[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
SMILESO=C(C1CCc2cn[nH]c2C1)N1CCCC1c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H22N6O/c27-20(14-8-9-15-12-21-23-16(15)11-14)26-10-4-7-17(26)19-22-18(24-25-19)13-5-2-1-3-6-13/h1-3,5-6,12,14,17H,4,7-11H2,(H,21,23)(H,22,24,25)
InChIKeyZUVLGZWFWRBMQT-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.66
Rot. Bonds3

About [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone

[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone (PubChem CID 127688943) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
PubChem CID127688943
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
SMILESO=C(C1CCc2cn[nH]c2C1)N1CCCC1c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H22N6O/c27-20(14-8-9-15-12-21-23-16(15)11-14)26-10-4-7-17(26)19-22-18(24-25-19)13-5-2-1-3-6-13/h1-3,5-6,12,14,17H,4,7-11H2,(H,21,23)(H,22,24,25)
InChIKeyZUVLGZWFWRBMQT-UHFFFAOYSA-N
XLogP2.66
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone 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 [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
The IUPAC name of [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone (CID 127688943) is [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone.
What is the SMILES notation for [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
The canonical SMILES for [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone is O=C(C1CCc2cn[nH]c2C1)N1CCCC1c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
The InChIKey is ZUVLGZWFWRBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(14-8-9-15-12-21-23-16(15)11-14)26-10-4-7-17(26)19-22-18(24-25-19)13-5-2-1-3-6-13/h1-3,5-6,12,14,17H,4,7-11H2,(H,21,23)(H,22,24,25).
What are the key properties of [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone has a molecular weight of 362.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone is sourced from PubChem (CID 127688943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).