3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine

C18H20N8O — CID 170657276

IUPAC3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine
SMILESCOc1nc(NC2CC(C)(N)C2)nn2ccc(-c3ccc4ncnn4c3)c12
InChIInChI=1S/C18H20N8O/c1-18(19)7-12(8-18)22-17-23-16(27-2)15-13(5-6-25(15)24-17)11-3-4-14-20-10-21-26(14)9-11/h3-6,9-10,12H,7-8,19H2,1-2H3,(H,22,24)
InChIKeyHAXFAXVWBDLDKF-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.74
Rot. Bonds4

About 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine

3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine (PubChem CID 170657276) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine
PubChem CID170657276
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine
SMILESCOc1nc(NC2CC(C)(N)C2)nn2ccc(-c3ccc4ncnn4c3)c12
InChIInChI=1S/C18H20N8O/c1-18(19)7-12(8-18)22-17-23-16(27-2)15-13(5-6-25(15)24-17)11-3-4-14-20-10-21-26(14)9-11/h3-6,9-10,12H,7-8,19H2,1-2H3,(H,22,24)
InChIKeyHAXFAXVWBDLDKF-UHFFFAOYSA-N
XLogP1.74
TPSA107.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine 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-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine?
The IUPAC name of 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine (CID 170657276) is 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine.
What is the SMILES notation for 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine?
The canonical SMILES for 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine is COc1nc(NC2CC(C)(N)C2)nn2ccc(-c3ccc4ncnn4c3)c12.
What is the InChIKey of 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine?
The InChIKey is HAXFAXVWBDLDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-18(19)7-12(8-18)22-17-23-16(27-2)15-13(5-6-25(15)24-17)11-3-4-14-20-10-21-26(14)9-11/h3-6,9-10,12H,7-8,19H2,1-2H3,(H,22,24).
What are the key properties of 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine?
3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine has a molecular weight of 364.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine is sourced from PubChem (CID 170657276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).