N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide

C10H16N4O2 — CID 115348341

IUPACN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide
SMILESCN(CC1CC(O)C1)C(=O)Cn1ccnn1
InChIInChI=1S/C10H16N4O2/c1-13(6-8-4-9(15)5-8)10(16)7-14-3-2-11-12-14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyDZDGQMZBVFKIPH-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.49
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide

N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide (PubChem CID 115348341) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide
PubChem CID115348341
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide
SMILESCN(CC1CC(O)C1)C(=O)Cn1ccnn1
InChIInChI=1S/C10H16N4O2/c1-13(6-8-4-9(15)5-8)10(16)7-14-3-2-11-12-14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyDZDGQMZBVFKIPH-UHFFFAOYSA-N
XLogP-0.49
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627955
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide
CID 126439698
4-[methyl-[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81456321
N-methoxy-N-methyl-2-(triazol-1-yl)acetamide
CID 22270554
2-cyclobutyl-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide
CID 102737604
2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid
CID 115348234
(Z)-3-(dimethylamino)-2-(triazol-1-ylmethyl)prop-2-enoic acid
CID 174741915
N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
CID 104671170
N-[(3-bromophenyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide
CID 79832663
methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 112632463
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106611713
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627006

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide (CID 115348341) is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide is CN(CC1CC(O)C1)C(=O)Cn1ccnn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide?
The InChIKey is DZDGQMZBVFKIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13(6-8-4-9(15)5-8)10(16)7-14-3-2-11-12-14/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide?
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 115348341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).