5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine

C6H5ClN6 — CID 118470363

IUPAC5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine
SMILESNc1ncc(Cl)nc1-n1cncn1
InChIInChI=1S/C6H5ClN6/c7-4-1-10-5(8)6(12-4)13-3-9-2-11-13/h1-3H,(H2,8,10)
InChIKeyUJVMVVPICXWDNM-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.29
Rot. Bonds1

About 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine

5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine (PubChem CID 118470363) has the molecular formula C6H5ClN6 and a molecular weight of 196.60 g/mol. Its IUPAC name is 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine
PubChem CID118470363
Molecular FormulaC6H5ClN6
Molecular Weight196.60 g/mol
Exact Mass196.03
IUPAC Name5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine
SMILESNc1ncc(Cl)nc1-n1cncn1
InChIInChI=1S/C6H5ClN6/c7-4-1-10-5(8)6(12-4)13-3-9-2-11-13/h1-3H,(H2,8,10)
InChIKeyUJVMVVPICXWDNM-UHFFFAOYSA-N
XLogP0.29
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine?
The IUPAC name of 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine (CID 118470363) is 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine is Nc1ncc(Cl)nc1-n1cncn1.
What is the InChIKey of 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine?
The InChIKey is UJVMVVPICXWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN6/c7-4-1-10-5(8)6(12-4)13-3-9-2-11-13/h1-3H,(H2,8,10).
What are the key properties of 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine?
5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine has a molecular weight of 196.60 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 118470363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).