5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide

C21H23N5O — CID 167960102

IUPAC5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
SMILESCc1ccc(-c2cn(CC3(CN)CC3)nn2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H23N5O/c1-15-7-8-16(11-18(15)20(27)23-17-5-3-2-4-6-17)19-12-26(25-24-19)14-21(13-22)9-10-21/h2-8,11-12H,9-10,13-14,22H2,1H3,(H,23,27)
InChIKeySZJDBUMCKDQHQI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.24
Rot. Bonds6

About 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide

5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide (PubChem CID 167960102) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
PubChem CID167960102
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
SMILESCc1ccc(-c2cn(CC3(CN)CC3)nn2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H23N5O/c1-15-7-8-16(11-18(15)20(27)23-17-5-3-2-4-6-17)19-12-26(25-24-19)14-21(13-22)9-10-21/h2-8,11-12H,9-10,13-14,22H2,1H3,(H,23,27)
InChIKeySZJDBUMCKDQHQI-UHFFFAOYSA-N
XLogP3.24
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide 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-methyl-N-phenyl-5-[1-(pyridazin-3-ylmethyl)triazol-4-yl]benzamide
CID 166400331
2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide
CID 166398596
5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 167811893
5-[1-[(2,2-dimethylpyrrolidin-3-yl)methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166398627
2-methyl-5-[1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)triazol-4-yl]-N-phenylbenzamide
CID 166310965
2-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]-N-phenylbenzamide
CID 166400332
5-[1-[(2S)-2-aminopropyl]triazol-4-yl]-2-methyl-N-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 166355268
5-[1-(3,3-difluoro-4-hydroxybutyl)triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166303990
2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide
CID 166395570
5-[1-[2-(1,4-dioxan-2-yl)ethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166296610
5-[1-[(3,3-dimethylazetidin-2-yl)methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 166348550
(2S)-2-[4-[4-methyl-3-(phenylcarbamoyl)phenyl]triazol-1-yl]propanoic acid
CID 166395575

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide?
The IUPAC name of 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide (CID 167960102) is 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide.
What is the SMILES notation for 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide?
The canonical SMILES for 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide is Cc1ccc(-c2cn(CC3(CN)CC3)nn2)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide?
The InChIKey is SZJDBUMCKDQHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-7-8-16(11-18(15)20(27)23-17-5-3-2-4-6-17)19-12-26(25-24-19)14-21(13-22)9-10-21/h2-8,11-12H,9-10,13-14,22H2,1H3,(H,23,27).
What are the key properties of 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide?
5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide is sourced from PubChem (CID 167960102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).