N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide

C14H18N4O3 — CID 103877146

IUPACN-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H18N4O3/c1-21-10-12(19)7-8-15-14(20)13-9-18(17-16-13)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8,10H2,1H3,(H,15,20)
InChIKeyUSQSLEHYCZCMFZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.39
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide

N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide (PubChem CID 103877146) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide
PubChem CID103877146
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H18N4O3/c1-21-10-12(19)7-8-15-14(20)13-9-18(17-16-13)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8,10H2,1H3,(H,15,20)
InChIKeyUSQSLEHYCZCMFZ-UHFFFAOYSA-N
XLogP0.39
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
6-[(1-phenyltriazole-4-carbonyl)amino]hexanoic acid
CID 119220200
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43066149
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-phenyltriazole-4-carboxamide
CID 109380676
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide
CID 103877657
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide
CID 110888994
3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid
CID 43360787
N-(2,3-dihydroxy-2-methylpropyl)-1-phenyltriazole-4-carboxamide
CID 66169267
[2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium
CID 172795677

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide (CID 103877146) is N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide is COCC(O)CCNC(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is USQSLEHYCZCMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-21-10-12(19)7-8-15-14(20)13-9-18(17-16-13)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8,10H2,1H3,(H,15,20).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 103877146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).