N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

C10H16N4O2 — CID 45220855

IUPACN-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cn1cncn1
InChIInChI=1S/C10H16N4O2/c1-13(5-9-3-2-4-16-9)10(15)6-14-8-11-7-12-14/h7-9H,2-6H2,1H3
InChIKeyTVIBYWCOKREGFQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.08
Rot. Bonds4

About N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 45220855) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID45220855
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cn1cncn1
InChIInChI=1S/C10H16N4O2/c1-13(5-9-3-2-4-16-9)10(15)6-14-8-11-7-12-14/h7-9H,2-6H2,1H3
InChIKeyTVIBYWCOKREGFQ-UHFFFAOYSA-N
XLogP-0.08
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 28285400
2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 2859821
2-(3-nitro-1,2,4-triazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 6991695
2-(3-nitro-1,2,4-triazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7343845
N-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 28285399
Methyl 1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 43423844
N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 45148255
N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53506316
1-(2-Ethylmorpholin-4-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53528383
N-(oxolan-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 53623155
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 54901665
2-(3-Amino-1,2,4-triazol-1-yl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 54901761

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 45220855) is N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is CN(CC1CCCO1)C(=O)Cn1cncn1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is TVIBYWCOKREGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13(5-9-3-2-4-16-9)10(15)6-14-8-11-7-12-14/h7-9H,2-6H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 45220855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).