3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C13H16N4O2 — CID 64510727

IUPAC3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCc1ccccc1O
InChIInChI=1S/C13H16N4O2/c1-17(8-12-14-9-15-16-12)13(19)7-6-10-4-2-3-5-11(10)18/h2-5,9,18H,6-8H2,1H3,(H,14,15,16)
InChIKeyOXKICFDUEMFHQL-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.10
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64510727) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64510727
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCc1ccccc1O
InChIInChI=1S/C13H16N4O2/c1-17(8-12-14-9-15-16-12)13(19)7-6-10-4-2-3-5-11(10)18/h2-5,9,18H,6-8H2,1H3,(H,14,15,16)
InChIKeyOXKICFDUEMFHQL-UHFFFAOYSA-N
XLogP1.10
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64512422
2-[2-(aminomethyl)phenyl]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 81322774
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64517287
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64531621
N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64510523
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511666
N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64517093
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hept-6-ynamide
CID 103908758
2-(2-fluorophenyl)sulfanyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512642
3-(4-fluorophenyl)sulfanyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64512641

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64510727) is 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CN(Cc1ncn[nH]1)C(=O)CCc1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is OXKICFDUEMFHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(8-12-14-9-15-16-12)13(19)7-6-10-4-2-3-5-11(10)18/h2-5,9,18H,6-8H2,1H3,(H,14,15,16).
What are the key properties of 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64510727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).