N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C11H18N4O2 — CID 77091135

IUPACN-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN(CCC1CCCCO1)C(=O)c1ncn[nH]1
InChIInChI=1S/C11H18N4O2/c1-15(11(16)10-12-8-13-14-10)6-5-9-4-2-3-7-17-9/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyQZYLKKIMVIRNSS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.84
Rot. Bonds4

About N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 77091135) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID77091135
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN(CCC1CCCCO1)C(=O)c1ncn[nH]1
InChIInChI=1S/C11H18N4O2/c1-15(11(16)10-12-8-13-14-10)6-5-9-4-2-3-7-17-9/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyQZYLKKIMVIRNSS-UHFFFAOYSA-N
XLogP0.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-(oxan-2-ylmethyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 121499289
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96579479
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide
CID 125166689
1-ethyl-N,3,5-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrazole-4-carboxamide
CID 125177076
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362
N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide
CID 95045864
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
5-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435982
1-methyl-3-(3-methylbutyl)-1-[2-(oxan-2-yl)ethyl]urea
CID 110426616
3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea
CID 110426615

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 77091135) is N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is CN(CCC1CCCCO1)C(=O)c1ncn[nH]1.
What is the InChIKey of N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is QZYLKKIMVIRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(11(16)10-12-8-13-14-10)6-5-9-4-2-3-7-17-9/h8-9H,2-7H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.84, 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-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 77091135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).