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

C9H14ClN5 — CID 153328760

IUPAC6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane
SMILESCC.CNc1nc(Cl)cn2c(C)nnc12
InChIInChI=1S/C7H8ClN5.C2H6/c1-4-11-12-7-6(9-2)10-5(8)3-13(4)7;1-2/h3H,1-2H3,(H,9,10);1-2H3
InChIKeyWOUQKBSYNWGYNY-UHFFFAOYSA-N
MW227.70 g/mol
LogP2.15
Rot. Bonds1

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

6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane (PubChem CID 153328760) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane.

Molecular Properties

Compound Name6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane
PubChem CID153328760
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane
SMILESCC.CNc1nc(Cl)cn2c(C)nnc12
InChIInChI=1S/C7H8ClN5.C2H6/c1-4-11-12-7-6(9-2)10-5(8)3-13(4)7;1-2/h3H,1-2H3,(H,9,10);1-2H3
InChIKeyWOUQKBSYNWGYNY-UHFFFAOYSA-N
XLogP2.15
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 52.15
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;ethane?
The IUPAC name of 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane (CID 153328760) is 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane.
What is the SMILES notation for 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane?
The canonical SMILES for 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane is CC.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;ethane?
The InChIKey is WOUQKBSYNWGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5.C2H6/c1-4-11-12-7-6(9-2)10-5(8)3-13(4)7;1-2/h3H,1-2H3,(H,9,10);1-2H3.
What are the key properties of 6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane?
6-chloro-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;ethane has a molecular weight of 227.70 g/mol, XLogP of 2.15, 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;ethane is sourced from PubChem (CID 153328760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).