[1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride

C6H9Cl2N5 — CID 155978257

IUPAC[1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cn2cnnc2cn1
InChIInChI=1S/C6H7N5.2ClH/c7-1-5-3-11-4-9-10-6(11)2-8-5;;/h2-4H,1,7H2;2*1H
InChIKeySOPKESZSQZGEDY-UHFFFAOYSA-N
MW222.08 g/mol
LogP0.43
Rot. Bonds1

About [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride

[1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride (PubChem CID 155978257) has the molecular formula C6H9Cl2N5 and a molecular weight of 222.08 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride
PubChem CID155978257
Molecular FormulaC6H9Cl2N5
Molecular Weight222.08 g/mol
Exact Mass221.02
IUPAC Name[1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cn2cnnc2cn1
InChIInChI=1S/C6H7N5.2ClH/c7-1-5-3-11-4-9-10-6(11)2-8-5;;/h2-4H,1,7H2;2*1H
InChIKeySOPKESZSQZGEDY-UHFFFAOYSA-N
XLogP0.43
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-[1,2,4]triazolo[4,3-a]pyrazine
CID 130787935
[1,2,4]triazolo[4,3-a]pyrazine-6-carbonyl chloride
CID 164660705
6-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 146316108
N-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 164653444
N-(2-chloroethyl)-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 164653443
(E)-1-[(Z)-[(Z)-2-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)but-2-enylidene]amino]prop-1-en-1-ol
CID 169263170
6-iodo-[1,2,4]triazolo[4,3-a]pyridine
CID 69371559
imidazo[1,2-a]pyrazin-2-ylmethanamine;dihydrochloride
CID 138040926
N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866629
(3-benzyl-3-methylazetidin-1-yl)-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone
CID 154869578
[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 82417711
[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
CID 83873033

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride (CID 155978257) is [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride is Cl.Cl.NCc1cn2cnnc2cn1.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride?
The InChIKey is SOPKESZSQZGEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5.2ClH/c7-1-5-3-11-4-9-10-6(11)2-8-5;;/h2-4H,1,7H2;2*1H.
What are the key properties of [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride?
[1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride has a molecular weight of 222.08 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]pyrazin-6-ylmethanamine;dihydrochloride is sourced from PubChem (CID 155978257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).