2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide

C8H14N4O2 — CID 130567345

IUPAC2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc([C@H](C)O)nn1
InChIInChI=1S/C8H14N4O2/c1-5(8(14)9-3)12-4-7(6(2)13)10-11-12/h4-6,13H,1-3H3,(H,9,14)/t5?,6-/m0/s1
InChIKeyKWYVTNSMMPWLQX-GDVGLLTNSA-N
MW198.23 g/mol
LogP-0.36
Rot. Bonds3

About 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide

2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide (PubChem CID 130567345) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide
PubChem CID130567345
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc([C@H](C)O)nn1
InChIInChI=1S/C8H14N4O2/c1-5(8(14)9-3)12-4-7(6(2)13)10-11-12/h4-6,13H,1-3H3,(H,9,14)/t5?,6-/m0/s1
InChIKeyKWYVTNSMMPWLQX-GDVGLLTNSA-N
XLogP-0.36
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
CID 81444580
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide
CID 81444584
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 81444021
2-(4-formyltriazol-1-yl)-N-methylpropanamide
CID 66216391
(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol
CID 124596958
N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194200
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
1-[1-(1-iodoethyl)triazol-4-yl]ethanol
CID 170178991
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
CID 66192085
(2S)-2-[[(2S)-2-[4-[(1R)-1-amino-2-hydroxypropyl]triazol-1-yl]propanoyl]amino]-3-methylbutanoic acid
CID 132541029
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 114419809

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide (CID 130567345) is 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide is CNC(=O)C(C)n1cc([C@H](C)O)nn1.
What is the InChIKey of 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide?
The InChIKey is KWYVTNSMMPWLQX-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(8(14)9-3)12-4-7(6(2)13)10-11-12/h4-6,13H,1-3H3,(H,9,14)/t5?,6-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide?
2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide has a molecular weight of 198.23 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 130567345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).