1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine

C14H20N4O — CID 54929076

IUPAC1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCc1nnc(COc2cccc(CC(C)N)c2)n1C
InChIInChI=1S/C14H20N4O/c1-10(15)7-12-5-4-6-13(8-12)19-9-14-17-16-11(2)18(14)3/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyHTVKVBUIIXSJLF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.59
Rot. Bonds5

About 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine

1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine (PubChem CID 54929076) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
PubChem CID54929076
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCc1nnc(COc2cccc(CC(C)N)c2)n1C
InChIInChI=1S/C14H20N4O/c1-10(15)7-12-5-4-6-13(8-12)19-9-14-17-16-11(2)18(14)3/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyHTVKVBUIIXSJLF-UHFFFAOYSA-N
XLogP1.59
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 114321907
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 63367781
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-[5-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115962851
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494866
4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole
CID 75517770
1-[3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-2-amine
CID 63050993
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000899

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine (CID 54929076) is 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine is Cc1nnc(COc2cccc(CC(C)N)c2)n1C.
What is the InChIKey of 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is HTVKVBUIIXSJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(15)7-12-5-4-6-13(8-12)19-9-14-17-16-11(2)18(14)3/h4-6,8,10H,7,9,15H2,1-3H3.
What are the key properties of 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine?
1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 54929076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).