2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C10H16N4O3 — CID 62401850

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(CO)nn1)NCC1CCCO1
InChIInChI=1S/C10H16N4O3/c15-7-8-5-14(13-12-8)6-10(16)11-4-9-2-1-3-17-9/h5,9,15H,1-4,6-7H2,(H,11,16)
InChIKeyPXABVPPMCOZQMP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.93
Rot. Bonds5

About 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 62401850) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID62401850
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(CO)nn1)NCC1CCCO1
InChIInChI=1S/C10H16N4O3/c15-7-8-5-14(13-12-8)6-10(16)11-4-9-2-1-3-17-9/h5,9,15H,1-4,6-7H2,(H,11,16)
InChIKeyPXABVPPMCOZQMP-UHFFFAOYSA-N
XLogP-0.93
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110210647
methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520366
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 114399986
2-[4-(oxan-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290219
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530729
2-[4-[[2-(oxolan-2-yl)ethylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458644
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7621960
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 62401850) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1cc(CO)nn1)NCC1CCCO1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PXABVPPMCOZQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-7-8-5-14(13-12-8)6-10(16)11-4-9-2-1-3-17-9/h5,9,15H,1-4,6-7H2,(H,11,16).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 240.26 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 62401850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).