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

C12H14N4O2 — CID 6472712

IUPAC4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-8(2)18-10-5-3-9(4-6-10)11(17)15-12-13-7-14-16-12/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyUFEYDPUWQGUTLK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.84
Rot. Bonds4

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

4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 6472712) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID6472712
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-8(2)18-10-5-3-9(4-6-10)11(17)15-12-13-7-14-16-12/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyUFEYDPUWQGUTLK-UHFFFAOYSA-N
XLogP1.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 6472712) is 4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide is CC(C)Oc1ccc(C(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is UFEYDPUWQGUTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(2)18-10-5-3-9(4-6-10)11(17)15-12-13-7-14-16-12/h3-8H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 246.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 6472712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).