N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide

C10H16N4O2 — CID 164642898

IUPACN-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide
SMILESCN(CC[C@H]1CCCO1)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H16N4O2/c1-14(5-4-8-3-2-6-16-8)10(15)9-7-11-13-12-9/h7-8H,2-6H2,1H3,(H,11,12,13)/t8-/m1/s1
InChIKeyQYDDGENKWPQLRQ-MRVPVSSYSA-N
MW224.26 g/mol
LogP0.45
Rot. Bonds4

About N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide

N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide (PubChem CID 164642898) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide
PubChem CID164642898
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide
SMILESCN(CC[C@H]1CCCO1)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H16N4O2/c1-14(5-4-8-3-2-6-16-8)10(15)9-7-11-13-12-9/h7-8H,2-6H2,1H3,(H,11,12,13)/t8-/m1/s1
InChIKeyQYDDGENKWPQLRQ-MRVPVSSYSA-N
XLogP0.45
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide (CID 164642898) is N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide is CN(CC[C@H]1CCCO1)C(=O)c1cn[nH]n1.
What is the InChIKey of N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide?
The InChIKey is QYDDGENKWPQLRQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14(5-4-8-3-2-6-16-8)10(15)9-7-11-13-12-9/h7-8H,2-6H2,1H3,(H,11,12,13)/t8-/m1/s1.
What are the key properties of N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide?
N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 164642898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).