N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide

C17H22N4O3 — CID 155954704

IUPACN-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCCCC3(O)CCC3)nn2)cc1
InChIInChI=1S/C17H22N4O3/c1-24-14-6-4-13(5-7-14)21-12-15(19-20-21)16(22)18-11-3-10-17(23)8-2-9-17/h4-7,12,23H,2-3,8-11H2,1H3,(H,18,22)
InChIKeyILSVFNDOJSIRGX-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.70
Rot. Bonds7

About N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide

N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide (PubChem CID 155954704) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
PubChem CID155954704
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCCCC3(O)CCC3)nn2)cc1
InChIInChI=1S/C17H22N4O3/c1-24-14-6-4-13(5-7-14)21-12-15(19-20-21)16(22)18-11-3-10-17(23)8-2-9-17/h4-7,12,23H,2-3,8-11H2,1H3,(H,18,22)
InChIKeyILSVFNDOJSIRGX-UHFFFAOYSA-N
XLogP1.70
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 23610505
1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 10513054
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71972435
1-(4-methoxyphenyl)-N-[2-(oxan-2-yl)propan-2-yl]triazole-4-carboxamide
CID 154778908
6-[(1-phenyltriazole-4-carbonyl)amino]hexanoic acid
CID 119220200
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide (CID 155954704) is N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide is COc1ccc(-n2cc(C(=O)NCCCC3(O)CCC3)nn2)cc1.
What is the InChIKey of N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is ILSVFNDOJSIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-24-14-6-4-13(5-7-14)21-12-15(19-20-21)16(22)18-11-3-10-17(23)8-2-9-17/h4-7,12,23H,2-3,8-11H2,1H3,(H,18,22).
What are the key properties of N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxycyclobutyl)propyl]-1-(4-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 155954704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).