5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

C18H19N5O — CID 134589207

IUPAC5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCOC/C=C/c1cnc(C)c(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H19N5O/c1-14-17(11-15(12-19-14)7-6-10-24-2)21-18-20-13-23(22-18)16-8-4-3-5-9-16/h3-9,11-13H,10H2,1-2H3,(H,21,22)/b7-6+
InChIKeyTVNIUAZYUKKSGX-VOTSOKGWSA-N
MW321.38 g/mol
LogP3.37
Rot. Bonds6

About 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 134589207) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID134589207
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCOC/C=C/c1cnc(C)c(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H19N5O/c1-14-17(11-15(12-19-14)7-6-10-24-2)21-18-20-13-23(22-18)16-8-4-3-5-9-16/h3-9,11-13H,10H2,1-2H3,(H,21,22)/b7-6+
InChIKeyTVNIUAZYUKKSGX-VOTSOKGWSA-N
XLogP3.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 134589207) is 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is COC/C=C/c1cnc(C)c(Nc2ncn(-c3ccccc3)n2)c1.
What is the InChIKey of 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is TVNIUAZYUKKSGX-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14-17(11-15(12-19-14)7-6-10-24-2)21-18-20-13-23(22-18)16-8-4-3-5-9-16/h3-9,11-13H,10H2,1-2H3,(H,21,22)/b7-6+.
What are the key properties of 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 321.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 134589207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).