N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide

C14H17FN4O2 — CID 109468181

IUPACN-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1cn(Cc2cccc(F)c2)nn1
InChIInChI=1S/C14H17FN4O2/c1-2-18(6-7-20)14(21)13-10-19(17-16-13)9-11-4-3-5-12(15)8-11/h3-5,8,10,20H,2,6-7,9H2,1H3
InChIKeyKNLJOIKKROXROF-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.92
Rot. Bonds6

About N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide

N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide (PubChem CID 109468181) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide
PubChem CID109468181
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC NameN-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1cn(Cc2cccc(F)c2)nn1
InChIInChI=1S/C14H17FN4O2/c1-2-18(6-7-20)14(21)13-10-19(17-16-13)9-11-4-3-5-12(15)8-11/h3-5,8,10,20H,2,6-7,9H2,1H3
InChIKeyKNLJOIKKROXROF-UHFFFAOYSA-N
XLogP0.92
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119506466
N-(3-amino-2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide;hydrochloride
CID 119654212
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55640929
1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119531085
1-[(3-fluorophenyl)methyl]-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]triazole-4-carboxamide
CID 97060940
1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide
CID 75379898
N-(3-aminopropyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119406415
N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 25368105
1-[(3-fluorophenyl)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]triazole-4-carboxamide;hydrochloride
CID 120944677
(2S)-2-[[1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]hexanoic acid
CID 120615410
N-benzyl-N-(2-hydroxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25457991
1-[(3-fluorophenyl)methyl]-N-[[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methyl]triazole-4-carboxamide
CID 164643101

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide?
The IUPAC name of N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide (CID 109468181) is N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide is CCN(CCO)C(=O)c1cn(Cc2cccc(F)c2)nn1.
What is the InChIKey of N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide?
The InChIKey is KNLJOIKKROXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-2-18(6-7-20)14(21)13-10-19(17-16-13)9-11-4-3-5-12(15)8-11/h3-5,8,10,20H,2,6-7,9H2,1H3.
What are the key properties of N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide?
N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 109468181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).