5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol

C19H23ClN6O — CID 177182518

IUPAC5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol
SMILESCCN1CCCC(Nc2nnc(-c3cc(C)c(Cl)cc3O)n3ccnc23)C1
InChIInChI=1S/C19H23ClN6O/c1-3-25-7-4-5-13(11-25)22-17-19-21-6-8-26(19)18(24-23-17)14-9-12(2)15(20)10-16(14)27/h6,8-10,13,27H,3-5,7,11H2,1-2H3,(H,22,23)
InChIKeyPLSFCYFLDZSAHV-UHFFFAOYSA-N
MW386.89 g/mol
LogP3.35
Rot. Bonds4

About 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol

5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol (PubChem CID 177182518) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol.

Molecular Properties

Compound Name5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol
PubChem CID177182518
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol
SMILESCCN1CCCC(Nc2nnc(-c3cc(C)c(Cl)cc3O)n3ccnc23)C1
InChIInChI=1S/C19H23ClN6O/c1-3-25-7-4-5-13(11-25)22-17-19-21-6-8-26(19)18(24-23-17)14-9-12(2)15(20)10-16(14)27/h6,8-10,13,27H,3-5,7,11H2,1-2H3,(H,22,23)
InChIKeyPLSFCYFLDZSAHV-UHFFFAOYSA-N
XLogP3.35
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol?
The IUPAC name of 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol (CID 177182518) is 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol.
What is the SMILES notation for 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol?
The canonical SMILES for 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol is CCN1CCCC(Nc2nnc(-c3cc(C)c(Cl)cc3O)n3ccnc23)C1.
What is the InChIKey of 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol?
The InChIKey is PLSFCYFLDZSAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O/c1-3-25-7-4-5-13(11-25)22-17-19-21-6-8-26(19)18(24-23-17)14-9-12(2)15(20)10-16(14)27/h6,8-10,13,27H,3-5,7,11H2,1-2H3,(H,22,23).
What are the key properties of 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol?
5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol has a molecular weight of 386.89 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol is sourced from PubChem (CID 177182518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).