5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine

C17H19N5 — CID 141371516

IUPAC5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine
SMILESCC(C)c1ccc(Cn2cc(-c3ccc(N)nc3)nn2)cc1
InChIInChI=1S/C17H19N5/c1-12(2)14-5-3-13(4-6-14)10-22-11-16(20-21-22)15-7-8-17(18)19-9-15/h3-9,11-12H,10H2,1-2H3,(H2,18,19)
InChIKeyOSRIJPRCHHEDMU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.09
Rot. Bonds4

About 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine

5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine (PubChem CID 141371516) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine
PubChem CID141371516
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine
SMILESCC(C)c1ccc(Cn2cc(-c3ccc(N)nc3)nn2)cc1
InChIInChI=1S/C17H19N5/c1-12(2)14-5-3-13(4-6-14)10-22-11-16(20-21-22)15-7-8-17(18)19-9-15/h3-9,11-12H,10H2,1-2H3,(H2,18,19)
InChIKeyOSRIJPRCHHEDMU-UHFFFAOYSA-N
XLogP3.09
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine (CID 141371516) is 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine is CC(C)c1ccc(Cn2cc(-c3ccc(N)nc3)nn2)cc1.
What is the InChIKey of 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine?
The InChIKey is OSRIJPRCHHEDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-12(2)14-5-3-13(4-6-14)10-22-11-16(20-21-22)15-7-8-17(18)19-9-15/h3-9,11-12H,10H2,1-2H3,(H2,18,19).
What are the key properties of 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine?
5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 141371516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).