2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine

C12H15ClN6 — CID 62863717

IUPAC2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
SMILESCCC1CCCN1C2=NC(=NC(=N2)N3C=CN=C3)Cl
InChIInChI=1S/C12H15ClN6/c1-2-9-4-3-6-19(9)12-16-10(13)15-11(17-12)18-7-5-14-8-18/h5,7-9H,2-4,6H2,1H3
InChIKeyGCTNXRQLWLNWEH-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.90
Rot. Bonds3

About 2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine

2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62863717) has the molecular formula C12H15ClN6 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62863717
Molecular FormulaC12H15ClN6
Molecular Weight278.74 g/mol
Exact Mass278.10
IUPAC Name2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
SMILESCCC1CCCN1C2=NC(=NC(=N2)N3C=CN=C3)Cl
InChIInChI=1S/C12H15ClN6/c1-2-9-4-3-6-19(9)12-16-10(13)15-11(17-12)18-7-5-14-8-18/h5,7-9H,2-4,6H2,1H3
InChIKeyGCTNXRQLWLNWEH-UHFFFAOYSA-N
XLogP2.90
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity304

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine (CID 62863717) is 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine is CCC1CCCN1C2=NC(=NC(=N2)N3C=CN=C3)Cl.
What is the InChIKey of 2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is GCTNXRQLWLNWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-2-9-4-3-6-19(9)12-16-10(13)15-11(17-12)18-7-5-14-8-18/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine?
2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 278.74 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62863717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).