3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol

C13H16N4O — CID 167186273

IUPAC3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCn1cnnc1C1(c2cccc(N)c2)CC(O)C1
InChIInChI=1S/C13H16N4O/c1-17-8-15-16-12(17)13(6-11(18)7-13)9-3-2-4-10(14)5-9/h2-5,8,11,18H,6-7,14H2,1H3
InChIKeyUVTHTALYSPXNFT-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.84
Rot. Bonds2

About 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol

3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (PubChem CID 167186273) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
PubChem CID167186273
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
SMILESCn1cnnc1C1(c2cccc(N)c2)CC(O)C1
InChIInChI=1S/C13H16N4O/c1-17-8-15-16-12(17)13(6-11(18)7-13)9-3-2-4-10(14)5-9/h2-5,8,11,18H,6-7,14H2,1H3
InChIKeyUVTHTALYSPXNFT-UHFFFAOYSA-N
XLogP0.84
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-iodophenyl)-3-methoxycyclobutyl]-4-methyl-1,2,4-triazole
CID 176972823
3-[1-(3-bromophenyl)cyclobutyl]-4-methyl-1,2,4-triazole
CID 168835245
3-[1-(3-bromophenyl)-3-fluoro-3-methylcyclobutyl]-4-methyl-1,2,4-triazole
CID 167506209
3-[3-isocyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]aniline
CID 176754406
2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 175924180
4-methyl-3-(5-phenylspiro[2.3]hexan-5-yl)-1,2,4-triazole
CID 171623213
2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline
CID 175734591
4-methyl-3-[3-(3-nitrophenyl)oxolan-3-yl]-1,2,4-triazole
CID 155435203
3-[3-methyl-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]aniline
CID 167186899
[7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol
CID 167274457
4-chloro-6-[(cyclopropylmethylamino)methyl]-2-[3-[3-fluoro-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3H-isoindol-1-one
CID 172589181
2-[3-[3-(hydroxymethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 175574425

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The IUPAC name of 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol (CID 167186273) is 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The canonical SMILES for 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is Cn1cnnc1C1(c2cccc(N)c2)CC(O)C1.
What is the InChIKey of 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
The InChIKey is UVTHTALYSPXNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-8-15-16-12(17)13(6-11(18)7-13)9-3-2-4-10(14)5-9/h2-5,8,11,18H,6-7,14H2,1H3.
What are the key properties of 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol?
3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol has a molecular weight of 244.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 167186273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).