8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C20H20N6 — CID 146266618

IUPAC8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCCc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(CC)n1
InChIInChI=1S/C20H20N6/c1-3-15-10-14(11-16(4-2)23-15)17-18(13-8-6-5-7-9-13)24-20(21)26-12-22-25-19(17)26/h5-12H,3-4H2,1-2H3,(H2,21,24)
InChIKeyKOWIMDLYAXIJCU-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.56
Rot. Bonds4

About 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 146266618) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID146266618
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCCc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(CC)n1
InChIInChI=1S/C20H20N6/c1-3-15-10-14(11-16(4-2)23-15)17-18(13-8-6-5-7-9-13)24-20(21)26-12-22-25-19(17)26/h5-12H,3-4H2,1-2H3,(H2,21,24)
InChIKeyKOWIMDLYAXIJCU-UHFFFAOYSA-N
XLogP3.56
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine with MolForge

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Related Compounds

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PP121
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Apy0201
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1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 146266618) is 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is CCc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(CC)n1.
What is the InChIKey of 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is KOWIMDLYAXIJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-3-15-10-14(11-16(4-2)23-15)17-18(13-8-6-5-7-9-13)24-20(21)26-12-22-25-19(17)26/h5-12H,3-4H2,1-2H3,(H2,21,24).
What are the key properties of 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 344.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 146266618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).