2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine

C11H10ClN7 — CID 79738250

IUPAC2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine
SMILESCn1ccnc1Cc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H10ClN7/c1-18-4-3-14-9(18)6-8-15-10(12)17-11(16-8)19-5-2-13-7-19/h2-5,7H,6H2,1H3
InChIKeyAAFINMBJWKVZLZ-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.03
Rot. Bonds3

About 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine

2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine (PubChem CID 79738250) has the molecular formula C11H10ClN7 and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine
PubChem CID79738250
Molecular FormulaC11H10ClN7
Molecular Weight275.70 g/mol
Exact Mass275.07
IUPAC Name2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine
SMILESCn1ccnc1Cc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H10ClN7/c1-18-4-3-14-9(18)6-8-15-10(12)17-11(16-8)19-5-2-13-7-19/h2-5,7H,6H2,1H3
InChIKeyAAFINMBJWKVZLZ-UHFFFAOYSA-N
XLogP1.03
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-6-imidazol-1-yl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330775
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
2-chloro-4-(3,4-dimethylpiperazin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 63605104
2-chloro-4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazine
CID 104561424
2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62866681
4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79738256
2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 82698690
4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
CID 114156803
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62865000
2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 55124288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine (CID 79738250) is 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine is Cn1ccnc1Cc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine?
The InChIKey is AAFINMBJWKVZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7/c1-18-4-3-14-9(18)6-8-15-10(12)17-11(16-8)19-5-2-13-7-19/h2-5,7H,6H2,1H3.
What are the key properties of 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine?
2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine has a molecular weight of 275.70 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine is sourced from PubChem (CID 79738250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).