8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C15H11Cl2N7S — CID 87059076

IUPAC8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCn1ccnc1Sc1ccc(Nc2nc3c(Cl)nccn3n2)cc1Cl
InChIInChI=1S/C15H11Cl2N7S/c1-23-6-4-19-15(23)25-11-3-2-9(8-10(11)16)20-14-21-13-12(17)18-5-7-24(13)22-14/h2-8H,1H3,(H,20,22)
InChIKeyNZNPUEDLKPJXAP-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.06
Rot. Bonds4

About 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 87059076) has the molecular formula C15H11Cl2N7S and a molecular weight of 392.28 g/mol. Its IUPAC name is 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID87059076
Molecular FormulaC15H11Cl2N7S
Molecular Weight392.28 g/mol
Exact Mass391.02
IUPAC Name8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCn1ccnc1Sc1ccc(Nc2nc3c(Cl)nccn3n2)cc1Cl
InChIInChI=1S/C15H11Cl2N7S/c1-23-6-4-19-15(23)25-11-3-2-9(8-10(11)16)20-14-21-13-12(17)18-5-7-24(13)22-14/h2-8H,1H3,(H,20,22)
InChIKeyNZNPUEDLKPJXAP-UHFFFAOYSA-N
XLogP4.06
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 87059076) is 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Cn1ccnc1Sc1ccc(Nc2nc3c(Cl)nccn3n2)cc1Cl.
What is the InChIKey of 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is NZNPUEDLKPJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N7S/c1-23-6-4-19-15(23)25-11-3-2-9(8-10(11)16)20-14-21-13-12(17)18-5-7-24(13)22-14/h2-8H,1H3,(H,20,22).
What are the key properties of 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 392.28 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 87059076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).