5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol

C17H20ClN5O — CID 177182551

IUPAC5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
SMILESCCCC(CC)Nc1nnc(-c2ccc(Cl)cc2O)n2ccnc12
InChIInChI=1S/C17H20ClN5O/c1-3-5-12(4-2)20-15-17-19-8-9-23(17)16(22-21-15)13-7-6-11(18)10-14(13)24/h6-10,12,24H,3-5H2,1-2H3,(H,20,21)
InChIKeySVRFTUGLTGIMRE-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.14
Rot. Bonds6

About 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol

5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol (PubChem CID 177182551) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
PubChem CID177182551
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
SMILESCCCC(CC)Nc1nnc(-c2ccc(Cl)cc2O)n2ccnc12
InChIInChI=1S/C17H20ClN5O/c1-3-5-12(4-2)20-15-17-19-8-9-23(17)16(22-21-15)13-7-6-11(18)10-14(13)24/h6-10,12,24H,3-5H2,1-2H3,(H,20,21)
InChIKeySVRFTUGLTGIMRE-UHFFFAOYSA-N
XLogP4.14
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol with MolForge

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Related Compounds

8-chloro-N-pentan-3-ylimidazo[1,2-a]quinoxalin-4-amine
CID 10708535
5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol
CID 177182518
3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103729169
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10668220
N-hexan-3-yl-1-methylimidazol-2-amine
CID 62133661
8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114030805
5-chloro-N-hexan-3-yl-2-propoxyaniline
CID 114079555
5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-methylimidazo[1,2-d][1,2,4]triazin-8-amine
CID 177182499
6-(2,4-dichlorophenyl)-4-N-heptan-3-ylpyrimidine-4,5-diamine
CID 22951024
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
2-(1-aminobutyl)-5-chlorophenol
CID 55271599

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
The IUPAC name of 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol (CID 177182551) is 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol.
What is the SMILES notation for 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
The canonical SMILES for 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol is CCCC(CC)Nc1nnc(-c2ccc(Cl)cc2O)n2ccnc12.
What is the InChIKey of 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
The InChIKey is SVRFTUGLTGIMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-3-5-12(4-2)20-15-17-19-8-9-23(17)16(22-21-15)13-7-6-11(18)10-14(13)24/h6-10,12,24H,3-5H2,1-2H3,(H,20,21).
What are the key properties of 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol has a molecular weight of 345.83 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol is sourced from PubChem (CID 177182551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).