N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride

C10H19ClN6 — CID 66771972

IUPACN,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride
SMILESCCN(CC)CC.Cl.c1cnc2n[nH]nc2n1
InChIInChI=1S/C6H15N.C4H3N5.ClH/c1-4-7(5-2)6-3;1-2-6-4-3(5-1)7-9-8-4;/h4-6H2,1-3H3;1-2H,(H,5,6,7,8,9);1H
InChIKeyBJMLXGJMWGCSQK-UHFFFAOYSA-N
MW258.76 g/mol
LogP1.52
Rot. Bonds3

About N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride

N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride (PubChem CID 66771972) has the molecular formula C10H19ClN6 and a molecular weight of 258.76 g/mol. Its IUPAC name is N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride.

Molecular Properties

Compound NameN,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride
PubChem CID66771972
Molecular FormulaC10H19ClN6
Molecular Weight258.76 g/mol
Exact Mass258.14
IUPAC NameN,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride
SMILESCCN(CC)CC.Cl.c1cnc2n[nH]nc2n1
InChIInChI=1S/C6H15N.C4H3N5.ClH/c1-4-7(5-2)6-3;1-2-6-4-3(5-1)7-9-8-4;/h4-6H2,1-3H3;1-2H,(H,5,6,7,8,9);1H
InChIKeyBJMLXGJMWGCSQK-UHFFFAOYSA-N
XLogP1.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.76
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride?
The IUPAC name of N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride (CID 66771972) is N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride.
What is the SMILES notation for N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride?
The canonical SMILES for N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride is CCN(CC)CC.Cl.c1cnc2n[nH]nc2n1.
What is the InChIKey of N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride?
The InChIKey is BJMLXGJMWGCSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H3N5.ClH/c1-4-7(5-2)6-3;1-2-6-4-3(5-1)7-9-8-4;/h4-6H2,1-3H3;1-2H,(H,5,6,7,8,9);1H.
What are the key properties of N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride?
N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride has a molecular weight of 258.76 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride is sourced from PubChem (CID 66771972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).