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

C14H20N4O — CID 63367781

IUPAC(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCc2nnc(C)n2C)cc1
InChIInChI=1S/C14H20N4O/c1-4-13(15)11-5-7-12(8-6-11)19-9-14-17-16-10(2)18(14)3/h5-8,13H,4,9,15H2,1-3H3/t13-/m0/s1
InChIKeyATMRDPZWKADFCR-ZDUSSCGKSA-N
MW260.34 g/mol
LogP2.11
Rot. Bonds5

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

(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine (PubChem CID 63367781) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
PubChem CID63367781
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCc2nnc(C)n2C)cc1
InChIInChI=1S/C14H20N4O/c1-4-13(15)11-5-7-12(8-6-11)19-9-14-17-16-10(2)18(14)3/h5-8,13H,4,9,15H2,1-3H3/t13-/m0/s1
InChIKeyATMRDPZWKADFCR-ZDUSSCGKSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzonitrile
CID 43524599
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494866
1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 54929076
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000899
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66153014
2-amino-5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzonitrile
CID 82015149
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 60877880
3-[(3-bromo-4-fluorophenoxy)methyl]-4,5-dimethyl-1,2,4-triazole
CID 83236459
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine (CID 63367781) is (1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccc(OCc2nnc(C)n2C)cc1.
What is the InChIKey of (1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is ATMRDPZWKADFCR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-13(15)11-5-7-12(8-6-11)19-9-14-17-16-10(2)18(14)3/h5-8,13H,4,9,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine?
(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 63367781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).