4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol

C14H20N4O — CID 115494455

IUPAC4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCCc1ncn(C)n1
InChIInChI=1S/C14H20N4O/c1-11(9-12-3-5-13(19)6-4-12)15-8-7-14-16-10-18(2)17-14/h3-6,10-11,15,19H,7-9H2,1-2H3
InChIKeySCKPKJXNNRWKMX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds6

About 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol

4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol (PubChem CID 115494455) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol
PubChem CID115494455
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCCc1ncn(C)n1
InChIInChI=1S/C14H20N4O/c1-11(9-12-3-5-13(19)6-4-12)15-8-7-14-16-10-18(2)17-14/h3-6,10-11,15,19H,7-9H2,1-2H3
InChIKeySCKPKJXNNRWKMX-UHFFFAOYSA-N
XLogP1.28
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 103911360
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80685029
3-fluoro-4-[1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol
CID 107715270
1-methylsulfonyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 80682240
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 80681550
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436
1-(4-iodophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 80681094
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
4-[2-(decylamino)propyl]phenol
CID 115494442

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol?
The IUPAC name of 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol (CID 115494455) is 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol?
The canonical SMILES for 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol is CC(Cc1ccc(O)cc1)NCCc1ncn(C)n1.
What is the InChIKey of 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol?
The InChIKey is SCKPKJXNNRWKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(9-12-3-5-13(19)6-4-12)15-8-7-14-16-10-18(2)17-14/h3-6,10-11,15,19H,7-9H2,1-2H3.
What are the key properties of 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol?
4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol has a molecular weight of 260.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propyl]phenol is sourced from PubChem (CID 115494455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).