3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide

C12H15N5O — CID 55138482

IUPAC3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide
SMILESCn1cnnc1CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C12H15N5O/c1-17-8-15-16-11(17)7-14-6-9-3-2-4-10(5-9)12(13)18/h2-5,8,14H,6-7H2,1H3,(H2,13,18)
InChIKeySSYHDSZAZUVMTK-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.20
Rot. Bonds5

About 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide

3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide (PubChem CID 55138482) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide
PubChem CID55138482
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide
SMILESCn1cnnc1CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C12H15N5O/c1-17-8-15-16-11(17)7-14-6-9-3-2-4-10(5-9)12(13)18/h2-5,8,14H,6-7H2,1H3,(H2,13,18)
InChIKeySSYHDSZAZUVMTK-UHFFFAOYSA-N
XLogP0.20
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide
CID 102664407
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-phenylphenyl)methanamine
CID 47059707
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
CID 43664759
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]benzamide
CID 55136863
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
N'-hydroxy-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzenecarboximidamide
CID 77028438
2-[3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenoxy]acetonitrile
CID 54895420
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43566996
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329024
1-(3-aminophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 62117941
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 112688808
3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 61462987

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide (CID 55138482) is 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide is Cn1cnnc1CNCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide?
The InChIKey is SSYHDSZAZUVMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-8-15-16-11(17)7-14-6-9-3-2-4-10(5-9)12(13)18/h2-5,8,14H,6-7H2,1H3,(H2,13,18).
What are the key properties of 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide?
3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide has a molecular weight of 245.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 55138482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).