3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol

C12H16N4O — CID 117167632

IUPAC3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol
SMILESCNC(C)Cc1cn(-c2cccc(O)c2)nn1
InChIInChI=1S/C12H16N4O/c1-9(13-2)6-10-8-16(15-14-10)11-4-3-5-12(17)7-11/h3-5,7-9,13,17H,6H2,1-2H3
InChIKeyLODKCHPOCKTNAO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.12
Rot. Bonds4

About 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol

3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol (PubChem CID 117167632) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol
PubChem CID117167632
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol
SMILESCNC(C)Cc1cn(-c2cccc(O)c2)nn1
InChIInChI=1S/C12H16N4O/c1-9(13-2)6-10-8-16(15-14-10)11-4-3-5-12(17)7-11/h3-5,7-9,13,17H,6H2,1-2H3
InChIKeyLODKCHPOCKTNAO-UHFFFAOYSA-N
XLogP1.12
TPSA62.97 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-hydroxy-2-[[1-(3-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155522900
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CID 122501204
1-(4-Hydroxyphenyl)-4-octyl-1h-1,2,3-triazole
CID 76320763
Phenol, 3-(1H-1,2,3-triazol-1-yl)-
CID 70581149
3-[4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]methyl]triazol-1-yl]phenol
CID 53318286
3-[4-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]triazol-1-yl]phenol
CID 53320948
[1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474094
2-[4-(Hydroxymethyl)-1h-1,2,3-triazol-1-yl]benzene-1,4-diol
CID 146036110
4-(4-Propyltriazol-1-yl)phenol
CID 162651336
4-(4-Propan-2-yltriazol-1-yl)phenol
CID 162661917
1-[[1-(3-Hydroxyphenyl)triazol-4-yl]methyl]-3-methylpyrimidine-2,4-dione
CID 172450696
(1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 47002584

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol?
The IUPAC name of 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol (CID 117167632) is 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol.
What is the SMILES notation for 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol?
The canonical SMILES for 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol is CNC(C)Cc1cn(-c2cccc(O)c2)nn1.
What is the InChIKey of 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol?
The InChIKey is LODKCHPOCKTNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(13-2)6-10-8-16(15-14-10)11-4-3-5-12(17)7-11/h3-5,7-9,13,17H,6H2,1-2H3.
What are the key properties of 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol?
3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol has a molecular weight of 232.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(methylamino)propyl]triazol-1-yl]phenol is sourced from PubChem (CID 117167632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).