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

C13H20N4O2 — CID 128592567

IUPACN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide
SMILESCC1(C)CCC(C(=O)NCc2nc(C3CC3)n[nH]2)O1
InChIInChI=1S/C13H20N4O2/c1-13(2)6-5-9(19-13)12(18)14-7-10-15-11(17-16-10)8-3-4-8/h8-9H,3-7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyMBXBPSPIMHADGY-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.26
Rot. Bonds4

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

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide (PubChem CID 128592567) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide
PubChem CID128592567
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide
SMILESCC1(C)CCC(C(=O)NCc2nc(C3CC3)n[nH]2)O1
InChIInChI=1S/C13H20N4O2/c1-13(2)6-5-9(19-13)12(18)14-7-10-15-11(17-16-10)8-3-4-8/h8-9H,3-7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyMBXBPSPIMHADGY-UHFFFAOYSA-N
XLogP1.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide (CID 128592567) is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide is CC1(C)CCC(C(=O)NCc2nc(C3CC3)n[nH]2)O1.
What is the InChIKey of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide?
The InChIKey is MBXBPSPIMHADGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2)6-5-9(19-13)12(18)14-7-10-15-11(17-16-10)8-3-4-8/h8-9H,3-7H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide?
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 128592567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).