N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide

C13H16N4O2 — CID 78927673

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-3-8-19-11-6-4-10(5-7-11)12(18)15-13-14-9(2)16-17-13/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNBHZIOWGGKYJCB-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.15
Rot. Bonds5

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide (PubChem CID 78927673) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide
PubChem CID78927673
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-3-8-19-11-6-4-10(5-7-11)12(18)15-13-14-9(2)16-17-13/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNBHZIOWGGKYJCB-UHFFFAOYSA-N
XLogP2.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 102851939
2-[4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenoxy]acetic acid
CID 167761393
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
4-propoxy-N-pyrazin-2-ylbenzamide
CID 71727773
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
4-propoxy-N-(thiatriazol-5-yl)benzamide
CID 19114284
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propoxybenzamide
CID 2994717
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide
CID 61021408
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide (CID 78927673) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide?
The InChIKey is NBHZIOWGGKYJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-8-19-11-6-4-10(5-7-11)12(18)15-13-14-9(2)16-17-13/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide has a molecular weight of 260.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide is sourced from PubChem (CID 78927673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).