N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide

C10H12N4O2 — CID 64510807

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccoc2)n[nH]1
InChIInChI=1S/C10H12N4O2/c1-7-11-9(13-12-7)5-14(2)10(15)8-3-4-16-6-8/h3-4,6H,5H2,1-2H3,(H,11,12,13)
InChIKeyGQLJSNUEEWMXTR-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.98
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide (PubChem CID 64510807) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
PubChem CID64510807
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccoc2)n[nH]1
InChIInChI=1S/C10H12N4O2/c1-7-11-9(13-12-7)5-14(2)10(15)8-3-4-16-6-8/h3-4,6H,5H2,1-2H3,(H,11,12,13)
InChIKeyGQLJSNUEEWMXTR-UHFFFAOYSA-N
XLogP0.98
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide (CID 64510807) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide is Cc1nc(CN(C)C(=O)c2ccoc2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
The InChIKey is GQLJSNUEEWMXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-11-9(13-12-7)5-14(2)10(15)8-3-4-16-6-8/h3-4,6H,5H2,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 64510807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).