2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C12H14N4O3 — CID 66214992

IUPAC2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2cc(C=O)nn2)o1
InChIInChI=1S/C12H14N4O3/c1-9-3-4-11(19-9)6-15(2)12(18)7-16-5-10(8-17)13-14-16/h3-5,8H,6-7H2,1-2H3
InChIKeyUMKISNDBWYYOAC-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.65
Rot. Bonds5

About 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 66214992) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID66214992
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2cc(C=O)nn2)o1
InChIInChI=1S/C12H14N4O3/c1-9-3-4-11(19-9)6-15(2)12(18)7-16-5-10(8-17)13-14-16/h3-5,8H,6-7H2,1-2H3
InChIKeyUMKISNDBWYYOAC-UHFFFAOYSA-N
XLogP0.65
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56866880
1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
CID 51101279
2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 62054820
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
CID 56905401
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide
CID 62402252
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128819
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 40741981
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40668240
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 18283575
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 27944743
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 66214992) is 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)Cn2cc(C=O)nn2)o1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is UMKISNDBWYYOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-9-3-4-11(19-9)6-15(2)12(18)7-16-5-10(8-17)13-14-16/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 262.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 66214992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).