2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide

C20H24N6O — CID 97438435

IUPAC2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
SMILESC[C@@H]1CCc2[nH]nc(-c3nc(CC(N)=O)nn3CCc3ccccc3)c2C1
InChIInChI=1S/C20H24N6O/c1-13-7-8-16-15(11-13)19(24-23-16)20-22-18(12-17(21)27)25-26(20)10-9-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,21,27)(H,23,24)/t13-/m1/s1
InChIKeyVJPOFUXOFHWRFG-CYBMUJFWSA-N
MW364.45 g/mol
LogP2.06
Rot. Bonds6

About 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide

2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 97438435) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID97438435
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
SMILESC[C@@H]1CCc2[nH]nc(-c3nc(CC(N)=O)nn3CCc3ccccc3)c2C1
InChIInChI=1S/C20H24N6O/c1-13-7-8-16-15(11-13)19(24-23-16)20-22-18(12-17(21)27)25-26(20)10-9-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,21,27)(H,23,24)/t13-/m1/s1
InChIKeyVJPOFUXOFHWRFG-CYBMUJFWSA-N
XLogP2.06
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-[(3R)-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 97436257
formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 155937887
N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 167830675
2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 157014047
2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide
CID 146046708
2-[[(7R)-7-methyl-4-oxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2580803
(7R)-7-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 1162344
5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46959032
N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46961739
2-[1-butyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 72873850
3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine
CID 82401679
ethyl 5-cyclopropyl-1-(2-phenylethyl)triazole-4-carboxylate
CID 103106922

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide (CID 97438435) is 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide is C[C@@H]1CCc2[nH]nc(-c3nc(CC(N)=O)nn3CCc3ccccc3)c2C1.
What is the InChIKey of 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is VJPOFUXOFHWRFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-7-8-16-15(11-13)19(24-23-16)20-22-18(12-17(21)27)25-26(20)10-9-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,21,27)(H,23,24)/t13-/m1/s1.
What are the key properties of 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 97438435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).