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

C16H24N4O — CID 115494866

IUPAC1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(OCc2nnc(C)n2C)cc1
InChIInChI=1S/C16H24N4O/c1-5-17-12(2)10-14-6-8-15(9-7-14)21-11-16-19-18-13(3)20(16)4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyMSRCHNYHPPRGQY-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.24
Rot. Bonds7

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

1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine (PubChem CID 115494866) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine
PubChem CID115494866
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(OCc2nnc(C)n2C)cc1
InChIInChI=1S/C16H24N4O/c1-5-17-12(2)10-14-6-8-15(9-7-14)21-11-16-19-18-13(3)20(16)4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyMSRCHNYHPPRGQY-UHFFFAOYSA-N
XLogP2.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 63367781
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640814
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzonitrile
CID 43524599
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 54929076
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 43525056

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine (CID 115494866) is 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(OCc2nnc(C)n2C)cc1.
What is the InChIKey of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine?
The InChIKey is MSRCHNYHPPRGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-17-12(2)10-14-6-8-15(9-7-14)21-11-16-19-18-13(3)20(16)4/h6-9,12,17H,5,10-11H2,1-4H3.
What are the key properties of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine?
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine has a molecular weight of 288.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine is sourced from PubChem (CID 115494866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).