N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide

C17H17N5O — CID 91782901

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1ccccc1C(=O)NCc1nc(N)n[nH]1
InChIInChI=1S/C17H17N5O/c1-11-6-2-3-7-12(11)13-8-4-5-9-14(13)16(23)19-10-15-20-17(18)22-21-15/h2-9H,10H2,1H3,(H,19,23)(H3,18,20,21,22)
InChIKeyGYTKJTPOLIREEB-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.29
Rot. Bonds4

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide (PubChem CID 91782901) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide
PubChem CID91782901
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1ccccc1C(=O)NCc1nc(N)n[nH]1
InChIInChI=1S/C17H17N5O/c1-11-6-2-3-7-12(11)13-8-4-5-9-14(13)16(23)19-10-15-20-17(18)22-21-15/h2-9H,10H2,1H3,(H,19,23)(H3,18,20,21,22)
InChIKeyGYTKJTPOLIREEB-UHFFFAOYSA-N
XLogP2.29
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide
CID 131910457
2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 163534666
N-(2-amino-2-iminoethyl)-2-methylbenzamide;5-(2-methylphenyl)-1H-1,2,4-triazol-3-amine;hydrate
CID 159258450
4-amino-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569643
4-amino-N-[[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569669
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170505311
2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 135900228
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 124751075
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 28783444
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91795880
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 122560512

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide (CID 91782901) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide is Cc1ccccc1-c1ccccc1C(=O)NCc1nc(N)n[nH]1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide?
The InChIKey is GYTKJTPOLIREEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-6-2-3-7-12(11)13-8-4-5-9-14(13)16(23)19-10-15-20-17(18)22-21-15/h2-9H,10H2,1H3,(H,19,23)(H3,18,20,21,22).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide has a molecular weight of 307.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide is sourced from PubChem (CID 91782901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).