2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide

C11H12N4O2 — CID 827241

IUPAC2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)NCn1cncn1
InChIInChI=1S/C11H12N4O2/c1-17-10-5-3-2-4-9(10)11(16)13-8-15-7-12-6-14-15/h2-7H,8H2,1H3,(H,13,16)
InChIKeyMDMBTFIPUXTOMQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.67
Rot. Bonds4

About 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide

2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 827241) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID827241
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)NCn1cncn1
InChIInChI=1S/C11H12N4O2/c1-17-10-5-3-2-4-9(10)11(16)13-8-15-7-12-6-14-15/h2-7H,8H2,1H3,(H,13,16)
InChIKeyMDMBTFIPUXTOMQ-UHFFFAOYSA-N
XLogP0.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Salicyloylaminotriazole
CID 94473
2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 748724
Bas 07005712
CID 656143
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
4-ethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 590988
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
(3-Amino-[1,2,4]triazol-4-yl)-(4-ethoxy-phenyl)-methanone
CID 891558
4-(2,3-dimethoxybenzoyl)-4H-1,2,4-triazol-3-amine
CID 2226284
(3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone
CID 2938648
1-(4-methoxybenzoyl)-1H-1,2,4-triazol-3-amine
CID 3235777
2,3-dimethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 4027510
N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-methoxybenzamide
CID 16031346

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide (CID 827241) is 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide is COc1ccccc1C(=O)NCn1cncn1.
What is the InChIKey of 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is MDMBTFIPUXTOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-10-5-3-2-4-9(10)11(16)13-8-15-7-12-6-14-15/h2-7H,8H2,1H3,(H,13,16).
What are the key properties of 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide?
2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 232.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 827241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).