(3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol

C12H16N4O — CID 112744495

IUPAC(3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1ncnc1C(O)c1cccc(N)c1
InChIInChI=1S/C12H16N4O/c1-2-6-16-12(14-8-15-16)11(17)9-4-3-5-10(13)7-9/h3-5,7-8,11,17H,2,6,13H2,1H3
InChIKeyKNRQOGVZGIQFFR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.35
Rot. Bonds4

About (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol

(3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol (PubChem CID 112744495) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol
PubChem CID112744495
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1ncnc1C(O)c1cccc(N)c1
InChIInChI=1S/C12H16N4O/c1-2-6-16-12(14-8-15-16)11(17)9-4-3-5-10(13)7-9/h3-5,7-8,11,17H,2,6,13H2,1H3
InChIKeyKNRQOGVZGIQFFR-UHFFFAOYSA-N
XLogP1.35
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.35
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

1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 112744766
(3-aminophenyl)-(1-propylpyrrol-2-yl)methanol
CID 14500639
(2-bromo-5-iodophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol
CID 112744828
1-(3-aminophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 106695869
2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 79424033
6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
CID 124907211
(2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol
CID 112743955
3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]aniline
CID 79133781
2-(3-aminophenyl)pentanoic acid
CID 119088607
1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 107469348
(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol (CID 112744495) is (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol is CCCn1ncnc1C(O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is KNRQOGVZGIQFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-6-16-12(14-8-15-16)11(17)9-4-3-5-10(13)7-9/h3-5,7-8,11,17H,2,6,13H2,1H3.
What are the key properties of (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol?
(3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 232.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 112744495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).