N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide

C14H15N5O2 — CID 173497144

IUPACN-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide
SMILES[H]/N=C(/C=C\c1n[nH]c(Cc2ccc(O)cc2)n1)NC(C)=O
InChIInChI=1S/C14H15N5O2/c1-9(20)16-12(15)6-7-13-17-14(19-18-13)8-10-2-4-11(21)5-3-10/h2-7,21H,8H2,1H3,(H2,15,16,20)(H,17,18,19)/b7-6-
InChIKeySTTULKZQPJMLIS-SREVYHEPSA-N
MW285.31 g/mol
LogP1.23
Rot. Bonds4

About N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide

N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide (PubChem CID 173497144) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide
PubChem CID173497144
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide
SMILES[H]/N=C(/C=C\c1n[nH]c(Cc2ccc(O)cc2)n1)NC(C)=O
InChIInChI=1S/C14H15N5O2/c1-9(20)16-12(15)6-7-13-17-14(19-18-13)8-10-2-4-11(21)5-3-10/h2-7,21H,8H2,1H3,(H2,15,16,20)(H,17,18,19)/b7-6-
InChIKeySTTULKZQPJMLIS-SREVYHEPSA-N
XLogP1.23
TPSA114.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide?
The IUPAC name of N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide (CID 173497144) is N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide.
What is the SMILES notation for N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide?
The canonical SMILES for N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide is [H]/N=C(/C=C\c1n[nH]c(Cc2ccc(O)cc2)n1)NC(C)=O.
What is the InChIKey of N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide?
The InChIKey is STTULKZQPJMLIS-SREVYHEPSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9(20)16-12(15)6-7-13-17-14(19-18-13)8-10-2-4-11(21)5-3-10/h2-7,21H,8H2,1H3,(H2,15,16,20)(H,17,18,19)/b7-6-.
What are the key properties of N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide?
N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide has a molecular weight of 285.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]prop-2-enimidoyl]acetamide is sourced from PubChem (CID 173497144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).