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

C9H5BrClN7 — CID 62867714

IUPAC2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1nc(-n2ccnc2)nc(-n2cc(Br)cn2)n1
InChIInChI=1S/C9H5BrClN7/c10-6-3-13-18(4-6)9-15-7(11)14-8(16-9)17-2-1-12-5-17/h1-5H
InChIKeyPDHSXTOXSYDCID-UHFFFAOYSA-N
MW326.55 g/mol
LogP1.66
Rot. Bonds2

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

2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62867714) has the molecular formula C9H5BrClN7 and a molecular weight of 326.55 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62867714
Molecular FormulaC9H5BrClN7
Molecular Weight326.55 g/mol
Exact Mass324.95
IUPAC Name2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1nc(-n2ccnc2)nc(-n2cc(Br)cn2)n1
InChIInChI=1S/C9H5BrClN7/c10-6-3-13-18(4-6)9-15-7(11)14-8(16-9)17-2-1-12-5-17/h1-5H
InChIKeyPDHSXTOXSYDCID-UHFFFAOYSA-N
XLogP1.66
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80853368
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80852898
2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine
CID 62865957
2-chloro-4-imidazol-1-yl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazine
CID 62867228
2-(4-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868436
2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62866681
2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868280
4-(4-bromopyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853993
2-(3-bromo-5-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 81314461
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-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
CID 114539087

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine (CID 62867714) is 2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine is Clc1nc(-n2ccnc2)nc(-n2cc(Br)cn2)n1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is PDHSXTOXSYDCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN7/c10-6-3-13-18(4-6)9-15-7(11)14-8(16-9)17-2-1-12-5-17/h1-5H.
What are the key properties of 2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 326.55 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62867714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).