2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine

C9H6ClN7 — CID 62863486

IUPAC2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
SMILESClc1nc(-n2ccnc2)nc(-n2ccnc2)n1
InChIInChI=1S/C9H6ClN7/c10-7-13-8(16-3-1-11-5-16)15-9(14-7)17-4-2-12-6-17/h1-6H
InChIKeyREOAHANPEGTMOC-UHFFFAOYSA-N
MW247.65 g/mol
LogP0.90
Rot. Bonds2

About 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine

2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine (PubChem CID 62863486) has the molecular formula C9H6ClN7 and a molecular weight of 247.65 g/mol. Its IUPAC name is 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
PubChem CID62863486
Molecular FormulaC9H6ClN7
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
SMILESClc1nc(-n2ccnc2)nc(-n2ccnc2)n1
InChIInChI=1S/C9H6ClN7/c10-7-13-8(16-3-1-11-5-16)15-9(14-7)17-4-2-12-6-17/h1-6H
InChIKeyREOAHANPEGTMOC-UHFFFAOYSA-N
XLogP0.90
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62867714
2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
CID 114539087
2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine
CID 62865957
2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62866681
2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 82698690
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
2-chloro-4-(3,4-dimethylpiperazin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 63605104
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole
CID 62869182
2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62870806
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine (CID 62863486) is 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine is Clc1nc(-n2ccnc2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine?
The InChIKey is REOAHANPEGTMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN7/c10-7-13-8(16-3-1-11-5-16)15-9(14-7)17-4-2-12-6-17/h1-6H.
What are the key properties of 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine?
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine has a molecular weight of 247.65 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62863486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).