6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C7H8ClN5 — CID 139366128

IUPAC6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nc(Cl)cn2c(C)nnc12
InChIInChI=1S/C7H8ClN5/c1-4-11-12-7-6(9-2)10-5(8)3-13(4)7/h3H,1-2H3,(H,9,10)
InChIKeyISXKWVFRLVCOJL-UHFFFAOYSA-N
MW197.63 g/mol
LogP1.13
Rot. Bonds1

About 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139366128) has the molecular formula C7H8ClN5 and a molecular weight of 197.63 g/mol. Its IUPAC name is 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139366128
Molecular FormulaC7H8ClN5
Molecular Weight197.63 g/mol
Exact Mass197.05
IUPAC Name6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nc(Cl)cn2c(C)nnc12
InChIInChI=1S/C7H8ClN5/c1-4-11-12-7-6(9-2)10-5(8)3-13(4)7/h3H,1-2H3,(H,9,10)
InChIKeyISXKWVFRLVCOJL-UHFFFAOYSA-N
XLogP1.13
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.63
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139366128) is 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CNc1nc(Cl)cn2c(C)nnc12.
What is the InChIKey of 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is ISXKWVFRLVCOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5/c1-4-11-12-7-6(9-2)10-5(8)3-13(4)7/h3H,1-2H3,(H,9,10).
What are the key properties of 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 197.63 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139366128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).