8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine

C11H5Cl2IN4 — CID 114030805

IUPAC8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(I)c(-c2nnc3c(Cl)nccn23)c1
InChIInChI=1S/C11H5Cl2IN4/c12-6-1-2-8(14)7(5-6)10-16-17-11-9(13)15-3-4-18(10)11/h1-5H
InChIKeyRJTLNMUWONFDPK-UHFFFAOYSA-N
MW391.00 g/mol
LogP3.70
Rot. Bonds1

About 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 114030805) has the molecular formula C11H5Cl2IN4 and a molecular weight of 391.00 g/mol. Its IUPAC name is 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID114030805
Molecular FormulaC11H5Cl2IN4
Molecular Weight391.00 g/mol
Exact Mass389.89
IUPAC Name8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(I)c(-c2nnc3c(Cl)nccn23)c1
InChIInChI=1S/C11H5Cl2IN4/c12-6-1-2-8(14)7(5-6)10-16-17-11-9(13)15-3-4-18(10)11/h1-5H
InChIKeyRJTLNMUWONFDPK-UHFFFAOYSA-N
XLogP3.70
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.00
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 82771314
3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114018416
3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 133054598
4-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1-methylpyridin-2-one
CID 114039746
8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 66128415
8-chloro-3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80537687
(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane
CID 58388823
5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
CID 177182465
5-chloro-2-[8-[(2-hydroxycyclohexyl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
CID 177182542
8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 79659917
5-chloro-6-iodoimidazo[1,2-a]pyridine
CID 76849501
5-chloro-2-[8-(hexan-3-ylamino)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
CID 177182551

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 114030805) is 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine is Clc1ccc(I)c(-c2nnc3c(Cl)nccn23)c1.
What is the InChIKey of 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RJTLNMUWONFDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2IN4/c12-6-1-2-8(14)7(5-6)10-16-17-11-9(13)15-3-4-18(10)11/h1-5H.
What are the key properties of 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 391.00 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 114030805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).