4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine

C12H15ClN6O — CID 62864577

IUPAC4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
SMILESCCC1COCCN1c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15ClN6O/c1-2-9-7-20-6-5-19(9)12-16-10(13)15-11(17-12)18-4-3-14-8-18/h3-4,8-9H,2,5-7H2,1H3
InChIKeyIADOBCCUBXJDKV-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.33
Rot. Bonds3

About 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine

4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine (PubChem CID 62864577) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
PubChem CID62864577
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
SMILESCCC1COCCN1c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15ClN6O/c1-2-9-7-20-6-5-19(9)12-16-10(13)15-11(17-12)18-4-3-14-8-18/h3-4,8-9H,2,5-7H2,1H3
InChIKeyIADOBCCUBXJDKV-UHFFFAOYSA-N
XLogP1.33
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864402
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide
CID 83098938
4-imidazol-1-yl-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 80781643
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80798127
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine
CID 139505136
4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63706080
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine?
The IUPAC name of 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine (CID 62864577) is 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine.
What is the SMILES notation for 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine?
The canonical SMILES for 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine is CCC1COCCN1c1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine?
The InChIKey is IADOBCCUBXJDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-2-9-7-20-6-5-19(9)12-16-10(13)15-11(17-12)18-4-3-14-8-18/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine?
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine has a molecular weight of 294.75 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine is sourced from PubChem (CID 62864577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).