N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride

C16H23ClFN5O — CID 119586721

IUPACN-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cn(Cc2cccc(F)c2)nn1.Cl
InChIInChI=1S/C16H22FN5O.ClH/c1-11(2)6-14(8-18)19-16(23)15-10-22(21-20-15)9-12-4-3-5-13(17)7-12;/h3-5,7,10-11,14H,6,8-9,18H2,1-2H3,(H,19,23);1H
InChIKeyCMQWGPSJMAZMAP-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.99
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119586721) has the molecular formula C16H23ClFN5O and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
PubChem CID119586721
Molecular FormulaC16H23ClFN5O
Molecular Weight355.85 g/mol
Exact Mass355.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cn(Cc2cccc(F)c2)nn1.Cl
InChIInChI=1S/C16H22FN5O.ClH/c1-11(2)6-14(8-18)19-16(23)15-10-22(21-20-15)9-12-4-3-5-13(17)7-12;/h3-5,7,10-11,14H,6,8-9,18H2,1-2H3,(H,19,23);1H
InChIKeyCMQWGPSJMAZMAP-UHFFFAOYSA-N
XLogP1.99
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(ethylamino)ethyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
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N-(1-amino-4-methylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
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(2S)-2-[[1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]hexanoic acid
CID 120615410
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119610471
N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119585743
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
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3-(3,4-dimethoxyphenyl)-3-[[1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]propanoic acid
CID 75445708
1-[(3-fluorophenyl)methyl]-N-(2-methylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride
CID 120601585
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride (CID 119586721) is N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cn(Cc2cccc(F)c2)nn1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is CMQWGPSJMAZMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O.ClH/c1-11(2)6-14(8-18)19-16(23)15-10-22(21-20-15)9-12-4-3-5-13(17)7-12;/h3-5,7,10-11,14H,6,8-9,18H2,1-2H3,(H,19,23);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119586721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).