3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine

C18H20N6O — CID 146282455

IUPAC3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCOc1ccc(-c2nnc(C3CC(N)C3)n2-c2cccnc2)nc1
InChIInChI=1S/C18H20N6O/c1-2-25-15-5-6-16(21-11-15)18-23-22-17(12-8-13(19)9-12)24(18)14-4-3-7-20-10-14/h3-7,10-13H,2,8-9,19H2,1H3
InChIKeyNTPHZOYZEKUPCM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.33
Rot. Bonds5

About 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 146282455) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID146282455
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCOc1ccc(-c2nnc(C3CC(N)C3)n2-c2cccnc2)nc1
InChIInChI=1S/C18H20N6O/c1-2-25-15-5-6-16(21-11-15)18-23-22-17(12-8-13(19)9-12)24(18)14-4-3-7-20-10-14/h3-7,10-13H,2,8-9,19H2,1H3
InChIKeyNTPHZOYZEKUPCM-UHFFFAOYSA-N
XLogP2.33
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 146282455) is 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCOc1ccc(-c2nnc(C3CC(N)C3)n2-c2cccnc2)nc1.
What is the InChIKey of 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is NTPHZOYZEKUPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-25-15-5-6-16(21-11-15)18-23-22-17(12-8-13(19)9-12)24(18)14-4-3-7-20-10-14/h3-7,10-13H,2,8-9,19H2,1H3.
What are the key properties of 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 336.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 146282455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).