5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol

C17H18ClN5O2 — CID 177182542

IUPAC5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nnc(NC2CCCCC2O)c2nccn12
InChIInChI=1S/C17H18ClN5O2/c18-10-5-6-11(14(25)9-10)16-22-21-15(17-19-7-8-23(16)17)20-12-3-1-2-4-13(12)24/h5-9,12-13,24-25H,1-4H2,(H,20,21)
InChIKeyWGHPCBAQXLMRRP-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.87
Rot. Bonds3

About 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol

5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol (PubChem CID 177182542) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
PubChem CID177182542
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nnc(NC2CCCCC2O)c2nccn12
InChIInChI=1S/C17H18ClN5O2/c18-10-5-6-11(14(25)9-10)16-22-21-15(17-19-7-8-23(16)17)20-12-3-1-2-4-13(12)24/h5-9,12-13,24-25H,1-4H2,(H,20,21)
InChIKeyWGHPCBAQXLMRRP-UHFFFAOYSA-N
XLogP2.87
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
The IUPAC name of 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol (CID 177182542) is 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol.
What is the SMILES notation for 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
The canonical SMILES for 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol is Oc1cc(Cl)ccc1-c1nnc(NC2CCCCC2O)c2nccn12.
What is the InChIKey of 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
The InChIKey is WGHPCBAQXLMRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c18-10-5-6-11(14(25)9-10)16-22-21-15(17-19-7-8-23(16)17)20-12-3-1-2-4-13(12)24/h5-9,12-13,24-25H,1-4H2,(H,20,21).
What are the key properties of 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol has a molecular weight of 359.82 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol is sourced from PubChem (CID 177182542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).