3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid

C11H17N5O4 — CID 66249974

IUPAC3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCn1cnnc1CNC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H17N5O4/c1-11(9(17)18)5-20-4-7(11)14-10(19)12-3-8-15-13-6-16(8)2/h6-7H,3-5H2,1-2H3,(H,17,18)(H2,12,14,19)
InChIKeyNRMZKDGBMZAPGN-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.90
Rot. Bonds4

About 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid

3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66249974) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID66249974
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCn1cnnc1CNC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H17N5O4/c1-11(9(17)18)5-20-4-7(11)14-10(19)12-3-8-15-13-6-16(8)2/h6-7H,3-5H2,1-2H3,(H,17,18)(H2,12,14,19)
InChIKeyNRMZKDGBMZAPGN-UHFFFAOYSA-N
XLogP-0.90
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid (CID 66249974) is 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid is Cn1cnnc1CNC(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is NRMZKDGBMZAPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-11(9(17)18)5-20-4-7(11)14-10(19)12-3-8-15-13-6-16(8)2/h6-7H,3-5H2,1-2H3,(H,17,18)(H2,12,14,19).
What are the key properties of 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid?
3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66249974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).