N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide

C12H15N5O — CID 62757928

IUPACN-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2cn(C)nn2)c1
InChIInChI=1S/C12H15N5O/c1-13-12(18)9-4-3-5-10(6-9)14-7-11-8-17(2)16-15-11/h3-6,8,14H,7H2,1-2H3,(H,13,18)
InChIKeyCWOJCPUCRWKNGA-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.79
Rot. Bonds4

About N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide

N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide (PubChem CID 62757928) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
PubChem CID62757928
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2cn(C)nn2)c1
InChIInChI=1S/C12H15N5O/c1-13-12(18)9-4-3-5-10(6-9)14-7-11-8-17(2)16-15-11/h3-6,8,14H,7H2,1-2H3,(H,13,18)
InChIKeyCWOJCPUCRWKNGA-UHFFFAOYSA-N
XLogP0.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757929
[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
CID 62757407
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
3-N,3-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,3-diamine
CID 113297450
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113794
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412863
N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757581
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756566

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide?
The IUPAC name of N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide (CID 62757928) is N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide?
The canonical SMILES for N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide is CNC(=O)c1cccc(NCc2cn(C)nn2)c1.
What is the InChIKey of N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide?
The InChIKey is CWOJCPUCRWKNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-13-12(18)9-4-3-5-10(6-9)14-7-11-8-17(2)16-15-11/h3-6,8,14H,7H2,1-2H3,(H,13,18).
What are the key properties of N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide?
N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide has a molecular weight of 245.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 62757928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).