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

C13H17N5O — CID 62757413

IUPACN-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCc2cn(C)nn2)cc1
InChIInChI=1S/C13H17N5O/c1-3-14-13(19)10-4-6-11(7-5-10)15-8-12-9-18(2)17-16-12/h4-7,9,15H,3,8H2,1-2H3,(H,14,19)
InChIKeyKEOMJMSYCCJZOO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.18
Rot. Bonds5

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

N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide (PubChem CID 62757413) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
PubChem CID62757413
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCc2cn(C)nn2)cc1
InChIInChI=1S/C13H17N5O/c1-3-14-13(19)10-4-6-11(7-5-10)15-8-12-9-18(2)17-16-12/h4-7,9,15H,3,8H2,1-2H3,(H,14,19)
InChIKeyKEOMJMSYCCJZOO-UHFFFAOYSA-N
XLogP1.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66270751
N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757049
N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757581
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide
CID 62755629
4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine
CID 62756674
3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757929
N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757928
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
1-ethyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
CID 62755967
N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113794
N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
CID 62391591

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide?
The IUPAC name of N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide (CID 62757413) is N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide?
The canonical SMILES for N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide is CCNC(=O)c1ccc(NCc2cn(C)nn2)cc1.
What is the InChIKey of N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide?
The InChIKey is KEOMJMSYCCJZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-14-13(19)10-4-6-11(7-5-10)15-8-12-9-18(2)17-16-12/h4-7,9,15H,3,8H2,1-2H3,(H,14,19).
What are the key properties of N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide?
N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 62757413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).