5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine

C24H24ClN5O2 — CID 53327558

IUPAC5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2nc(Oc3ccccc3Cl)n(C(C)C)n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C24H24ClN5O2/c1-15(2)30-24(32-21-8-6-5-7-20(21)25)28-23(29-30)27-18-9-10-19(22(14-18)31-4)17-11-12-26-16(3)13-17/h5-15H,1-4H3,(H,27,29)
InChIKeyVSJFRBAIHVBOJA-UHFFFAOYSA-N
MW449.94 g/mol
LogP6.43
Rot. Bonds7

About 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine

5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 53327558) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID53327558
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2nc(Oc3ccccc3Cl)n(C(C)C)n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C24H24ClN5O2/c1-15(2)30-24(32-21-8-6-5-7-20(21)25)28-23(29-30)27-18-9-10-19(22(14-18)31-4)17-11-12-26-16(3)13-17/h5-15H,1-4H3,(H,27,29)
InChIKeyVSJFRBAIHVBOJA-UHFFFAOYSA-N
XLogP6.43
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine
CID 53327562
5-(3,3-dimethylpiperidin-1-yl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine;dihydrochloride
CID 90339688
N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazol-3-amine
CID 53327509
(1R,5R)-N-[5-(2-chlorophenoxy)-1-propan-2-yl-1,2,4-triazol-3-yl]-3-(2-methoxy-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 166781646
8-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67325244
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67325259
8-(2-chlorophenyl)-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine
CID 71009369
N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008480
2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 158044675
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904305
N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141306433
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine (CID 53327558) is 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine is COc1cc(Nc2nc(Oc3ccccc3Cl)n(C(C)C)n2)ccc1-c1ccnc(C)c1.
What is the InChIKey of 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is VSJFRBAIHVBOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-15(2)30-24(32-21-8-6-5-7-20(21)25)28-23(29-30)27-18-9-10-19(22(14-18)31-4)17-11-12-26-16(3)13-17/h5-15H,1-4H3,(H,27,29).
What are the key properties of 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine?
5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 449.94 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 53327558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).