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

C10H16N4O2 — CID 64511769

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCCO2)n[nH]1
InChIInChI=1S/C10H16N4O2/c1-7-11-9(13-12-7)6-14(2)10(15)8-4-3-5-16-8/h8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVMJFELILRAPFAU-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.25
Rot. Bonds3

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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide (PubChem CID 64511769) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
PubChem CID64511769
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCCO2)n[nH]1
InChIInChI=1S/C10H16N4O2/c1-7-11-9(13-12-7)6-14(2)10(15)8-4-3-5-16-8/h8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVMJFELILRAPFAU-UHFFFAOYSA-N
XLogP0.25
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.25
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]oxolane-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide (CID 64511769) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide is Cc1nc(CN(C)C(=O)C2CCCO2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
The InChIKey is VMJFELILRAPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-11-9(13-12-7)6-14(2)10(15)8-4-3-5-16-8/h8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.25, 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]oxolane-2-carboxamide is sourced from PubChem (CID 64511769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).