3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine

C20H17N5O — CID 58399261

IUPAC3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cn(Cc2ccc(Oc3ccccc3)cc2)nn1
InChIInChI=1S/C20H17N5O/c21-20-18(7-4-12-22-20)19-14-25(24-23-19)13-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-12,14H,13H2,(H2,21,22)
InChIKeyPBHKHURCZUJNBI-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.76
Rot. Bonds5

About 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine

3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine (PubChem CID 58399261) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine
PubChem CID58399261
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cn(Cc2ccc(Oc3ccccc3)cc2)nn1
InChIInChI=1S/C20H17N5O/c21-20-18(7-4-12-22-20)19-14-25(24-23-19)13-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-12,14H,13H2,(H2,21,22)
InChIKeyPBHKHURCZUJNBI-UHFFFAOYSA-N
XLogP3.76
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine (CID 58399261) is 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine is Nc1ncccc1-c1cn(Cc2ccc(Oc3ccccc3)cc2)nn1.
What is the InChIKey of 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine?
The InChIKey is PBHKHURCZUJNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-20-18(7-4-12-22-20)19-14-25(24-23-19)13-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-12,14H,13H2,(H2,21,22).
What are the key properties of 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine?
3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 58399261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).