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

C11H13N5O — CID 62757929

IUPAC3-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCn1cc(CNc2cccc(C(N)=O)c2)nn1
InChIInChI=1S/C11H13N5O/c1-16-7-10(14-15-16)6-13-9-4-2-3-8(5-9)11(12)17/h2-5,7,13H,6H2,1H3,(H2,12,17)
InChIKeyGSJVZXPVLDXCBD-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.53
Rot. Bonds4

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

3-[(1-methyltriazol-4-yl)methylamino]benzamide (PubChem CID 62757929) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-[(1-methyltriazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(1-methyltriazol-4-yl)methylamino]benzamide
PubChem CID62757929
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-[(1-methyltriazol-4-yl)methylamino]benzamide
SMILESCn1cc(CNc2cccc(C(N)=O)c2)nn1
InChIInChI=1S/C11H13N5O/c1-16-7-10(14-15-16)6-13-9-4-2-3-8(5-9)11(12)17/h2-5,7,13H,6H2,1H3,(H2,12,17)
InChIKeyGSJVZXPVLDXCBD-UHFFFAOYSA-N
XLogP0.53
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757928
[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
CID 62757407
3-N,3-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,3-diamine
CID 113297450
N-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylaniline
CID 62756845
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113794
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62755251
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480
(3R,4R)-3-[3-[(1-methyltriazol-4-yl)methylamino]phenyl]piperidine-4-carboxylic acid
CID 176684676
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltriazol-4-yl)methylamino]benzamide?
The IUPAC name of 3-[(1-methyltriazol-4-yl)methylamino]benzamide (CID 62757929) is 3-[(1-methyltriazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 3-[(1-methyltriazol-4-yl)methylamino]benzamide?
The canonical SMILES for 3-[(1-methyltriazol-4-yl)methylamino]benzamide is Cn1cc(CNc2cccc(C(N)=O)c2)nn1.
What is the InChIKey of 3-[(1-methyltriazol-4-yl)methylamino]benzamide?
The InChIKey is GSJVZXPVLDXCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-7-10(14-15-16)6-13-9-4-2-3-8(5-9)11(12)17/h2-5,7,13H,6H2,1H3,(H2,12,17).
What are the key properties of 3-[(1-methyltriazol-4-yl)methylamino]benzamide?
3-[(1-methyltriazol-4-yl)methylamino]benzamide has a molecular weight of 231.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltriazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 62757929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).