4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide

C13H16N4O2 — CID 2993321

IUPAC4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-9(2)7-19-11-5-3-10(4-6-11)12(18)16-13-14-8-15-17-13/h3-6,8-9H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySKHVHBIPPOBPCZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.09
Rot. Bonds5

About 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide

4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 2993321) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID2993321
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-9(2)7-19-11-5-3-10(4-6-11)12(18)16-13-14-8-15-17-13/h3-6,8-9H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySKHVHBIPPOBPCZ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 888323
3,4-diethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 3156035
4-butoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 660181
4-ethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 590988
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
(3-Amino-[1,2,4]triazol-4-yl)-(4-ethoxy-phenyl)-methanone
CID 891558
(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
4-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993124
3-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2995099
3-isopropoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 6458685
4-isopropoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 6472712

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 2993321) is 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide is CC(C)COc1ccc(C(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is SKHVHBIPPOBPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(2)7-19-11-5-3-10(4-6-11)12(18)16-13-14-8-15-17-13/h3-6,8-9H,7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 2993321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).