N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide

C14H18N4O3 — CID 100632611

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide
SMILESCCn1ncnc1CNC(=O)c1cc(C)cc(OC)c1O
InChIInChI=1S/C14H18N4O3/c1-4-18-12(16-8-17-18)7-15-14(20)10-5-9(2)6-11(21-3)13(10)19/h5-6,8,19H,4,7H2,1-3H3,(H,15,20)
InChIKeyGZDYUGUPABZEIV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.25
Rot. Bonds5

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide (PubChem CID 100632611) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide
PubChem CID100632611
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide
SMILESCCn1ncnc1CNC(=O)c1cc(C)cc(OC)c1O
InChIInChI=1S/C14H18N4O3/c1-4-18-12(16-8-17-18)7-15-14(20)10-5-9(2)6-11(21-3)13(10)19/h5-6,8,19H,4,7H2,1-3H3,(H,15,20)
InChIKeyGZDYUGUPABZEIV-UHFFFAOYSA-N
XLogP1.25
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide (CID 100632611) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide is CCn1ncnc1CNC(=O)c1cc(C)cc(OC)c1O.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide?
The InChIKey is GZDYUGUPABZEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-18-12(16-8-17-18)7-15-14(20)10-5-9(2)6-11(21-3)13(10)19/h5-6,8,19H,4,7H2,1-3H3,(H,15,20).
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide has a molecular weight of 290.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-3-methoxy-5-methylbenzamide is sourced from PubChem (CID 100632611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).