[(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride

C8H10Cl2N6 — CID 178027949

IUPAC[(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride
SMILESC[C@H]([NH3+])c1ncnn1-c1cnc(Cl)cn1.[Cl-]
InChIInChI=1S/C8H9ClN6.ClH/c1-5(10)8-13-4-14-15(8)7-3-11-6(9)2-12-7;/h2-5H,10H2,1H3;1H/t5-;/m0./s1
InChIKeyVDSLMOFPBKSIOW-JEDNCBNOSA-N
MW261.12 g/mol
LogP-2.98
Rot. Bonds2

About [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride

[(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride (PubChem CID 178027949) has the molecular formula C8H10Cl2N6 and a molecular weight of 261.12 g/mol. Its IUPAC name is [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride.

Molecular Properties

Compound Name[(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride
PubChem CID178027949
Molecular FormulaC8H10Cl2N6
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name[(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride
SMILESC[C@H]([NH3+])c1ncnn1-c1cnc(Cl)cn1.[Cl-]
InChIInChI=1S/C8H9ClN6.ClH/c1-5(10)8-13-4-14-15(8)7-3-11-6(9)2-12-7;/h2-5H,10H2,1H3;1H/t5-;/m0./s1
InChIKeyVDSLMOFPBKSIOW-JEDNCBNOSA-N
XLogP-2.98
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine
CID 164513227
N-butyl-5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 134129170
2-(3-Amino-5-methyl-2-pyrazolin-1-yl)-6-chloropyrazine
CID 20228182
2-chloro-6-(1H-1,2,4-triazol-1-yl)pyrazine
CID 43260428
2-chloro-5-(1H-1,2,4-triazol-1-yl)pyrazine
CID 77231195
5-Chloro-3-(1,2,4-triazol-1-yl)pyrazin-2-amine
CID 118470363
6-chloro-N-isopropyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139366152
N-[(1S)-1-[2-(5-chloropyrazin-2-yl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethyl]-methylboronamidic acid
CID 172494892
(1S)-1-[2-(5-bromopyrazin-2-yl)-1,2,4-triazol-3-yl]ethanamine
CID 176223567
[(1S)-1-[2-(5-bromopyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium
CID 176683147
(1S)-1-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-1,2,4-triazol-3-yl]ethanamine
CID 178753078
2-amino-N-(aminomethylidene)-N'-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)propanimidamide
CID 178753217

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride?
The IUPAC name of [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride (CID 178027949) is [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride.
What is the SMILES notation for [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride?
The canonical SMILES for [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride is C[C@H]([NH3+])c1ncnn1-c1cnc(Cl)cn1.[Cl-].
What is the InChIKey of [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride?
The InChIKey is VDSLMOFPBKSIOW-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9ClN6.ClH/c1-5(10)8-13-4-14-15(8)7-3-11-6(9)2-12-7;/h2-5H,10H2,1H3;1H/t5-;/m0./s1.
What are the key properties of [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride?
[(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride has a molecular weight of 261.12 g/mol, XLogP of -2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[2-(5-chloropyrazin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium chloride is sourced from PubChem (CID 178027949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).