N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide

C10H16N4O2 — CID 154752576

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide
SMILESCc1nc(NC(=O)C2OCCC2C)n(C)n1
InChIInChI=1S/C10H16N4O2/c1-6-4-5-16-8(6)9(15)12-10-11-7(2)13-14(10)3/h6,8H,4-5H2,1-3H3,(H,11,12,13,15)
InChIKeyHVEMQZCXGQSYAH-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.49
Rot. Bonds2

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide (PubChem CID 154752576) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide
PubChem CID154752576
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide
SMILESCc1nc(NC(=O)C2OCCC2C)n(C)n1
InChIInChI=1S/C10H16N4O2/c1-6-4-5-16-8(6)9(15)12-10-11-7(2)13-14(10)3/h6,8H,4-5H2,1-3H3,(H,11,12,13,15)
InChIKeyHVEMQZCXGQSYAH-UHFFFAOYSA-N
XLogP0.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide (CID 154752576) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide is Cc1nc(NC(=O)C2OCCC2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide?
The InChIKey is HVEMQZCXGQSYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-4-5-16-8(6)9(15)12-10-11-7(2)13-14(10)3/h6,8H,4-5H2,1-3H3,(H,11,12,13,15).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 154752576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).