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

C12H14N4O2 — CID 6458685

IUPAC3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C12H14N4O2/c1-8(2)18-10-5-3-4-9(6-10)11(17)15-12-13-7-14-16-12/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyBUHZFEQMHNEQAQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.84
Rot. Bonds4

About 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide

3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 6458685) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID6458685
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C12H14N4O2/c1-8(2)18-10-5-3-4-9(6-10)11(17)15-12-13-7-14-16-12/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyBUHZFEQMHNEQAQ-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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Related Compounds

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 888323
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
4-isobutoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993321
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
3-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814685
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
4-ethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 590988
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
(3-Amino-[1,2,4]triazol-4-yl)-(4-ethoxy-phenyl)-methanone
CID 891558
(3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 936917
(3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone
CID 2938648

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 6458685) is 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide is CC(C)Oc1cccc(C(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is BUHZFEQMHNEQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(2)18-10-5-3-4-9(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 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-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 3-propan-2-yloxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 6458685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).