N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide

C14H18N4O2 — CID 91794630

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
SMILESCCn1ncnc1C(C)NC(=O)c1cccc(O)c1C
InChIInChI=1S/C14H18N4O2/c1-4-18-13(15-8-16-18)10(3)17-14(20)11-6-5-7-12(19)9(11)2/h5-8,10,19H,4H2,1-3H3,(H,17,20)
InChIKeyLDEGQJCDBNHVIF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.80
Rot. Bonds4

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide (PubChem CID 91794630) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
PubChem CID91794630
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
SMILESCCn1ncnc1C(C)NC(=O)c1cccc(O)c1C
InChIInChI=1S/C14H18N4O2/c1-4-18-13(15-8-16-18)10(3)17-14(20)11-6-5-7-12(19)9(11)2/h5-8,10,19H,4H2,1-3H3,(H,17,20)
InChIKeyLDEGQJCDBNHVIF-UHFFFAOYSA-N
XLogP1.80
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide (CID 91794630) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide is CCn1ncnc1C(C)NC(=O)c1cccc(O)c1C.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is LDEGQJCDBNHVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-18-13(15-8-16-18)10(3)17-14(20)11-6-5-7-12(19)9(11)2/h5-8,10,19H,4H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 91794630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).