3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine

C9H11ClN6 — CID 62118505

IUPAC3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1nccnc1Cl)c1nncn1C
InChIInChI=1S/C9H11ClN6/c1-6(9-15-13-5-16(9)2)14-8-7(10)11-3-4-12-8/h3-6H,1-2H3,(H,12,14)
InChIKeyNGGDQVLLSRLRLI-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.43
Rot. Bonds3

About 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine

3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine (PubChem CID 62118505) has the molecular formula C9H11ClN6 and a molecular weight of 238.68 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
PubChem CID62118505
Molecular FormulaC9H11ClN6
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1nccnc1Cl)c1nncn1C
InChIInChI=1S/C9H11ClN6/c1-6(9-15-13-5-16(9)2)14-8-7(10)11-3-4-12-8/h3-6H,1-2H3,(H,12,14)
InChIKeyNGGDQVLLSRLRLI-UHFFFAOYSA-N
XLogP1.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine (CID 62118505) is 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine is CC(Nc1nccnc1Cl)c1nncn1C.
What is the InChIKey of 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The InChIKey is NGGDQVLLSRLRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6/c1-6(9-15-13-5-16(9)2)14-8-7(10)11-3-4-12-8/h3-6H,1-2H3,(H,12,14).
What are the key properties of 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine has a molecular weight of 238.68 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 62118505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).