N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide

C10H16N4O2 — CID 64509897

IUPACN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCOCC1
InChIInChI=1S/C10H16N4O2/c1-14(6-9-11-7-12-13-9)10(15)8-2-4-16-5-3-8/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyGSMXFIMPGSFSDK-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.19
Rot. Bonds3

About N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide (PubChem CID 64509897) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
PubChem CID64509897
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCOCC1
InChIInChI=1S/C10H16N4O2/c1-14(6-9-11-7-12-13-9)10(15)8-2-4-16-5-3-8/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyGSMXFIMPGSFSDK-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide (CID 64509897) is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide is CN(Cc1ncn[nH]1)C(=O)C1CCOCC1.
What is the InChIKey of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
The InChIKey is GSMXFIMPGSFSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14(6-9-11-7-12-13-9)10(15)8-2-4-16-5-3-8/h7-8H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 64509897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).