1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C14H21ClN4O — CID 65319615

IUPAC1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(C)Oc1nc(Cl)nc(N2CCCC3CCCC32)n1
InChIInChI=1S/C14H21ClN4O/c1-9(2)20-14-17-12(15)16-13(18-14)19-8-4-6-10-5-3-7-11(10)19/h9-11H,3-8H2,1-2H3
InChIKeyIKFDGNSLTWASJQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.08
Rot. Bonds3

About 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 65319615) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID65319615
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(C)Oc1nc(Cl)nc(N2CCCC3CCCC32)n1
InChIInChI=1S/C14H21ClN4O/c1-9(2)20-14-17-12(15)16-13(18-14)19-8-4-6-10-5-3-7-11(10)19/h9-11H,3-8H2,1-2H3
InChIKeyIKFDGNSLTWASJQ-UHFFFAOYSA-N
XLogP3.08
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 65319615) is 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is CC(C)Oc1nc(Cl)nc(N2CCCC3CCCC32)n1.
What is the InChIKey of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is IKFDGNSLTWASJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-9(2)20-14-17-12(15)16-13(18-14)19-8-4-6-10-5-3-7-11(10)19/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 296.80 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 65319615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).