3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride

C8H16Cl2N4 — CID 71756203

IUPAC3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCC(C)c1nnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-6(2)8-11-10-7-5-9-3-4-12(7)8;;/h6,9H,3-5H2,1-2H3;2*1H
InChIKeyYVMCJVURUWZTJK-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.35
Rot. Bonds1

About 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride

3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (PubChem CID 71756203) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
PubChem CID71756203
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCC(C)c1nnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-6(2)8-11-10-7-5-9-3-4-12(7)8;;/h6,9H,3-5H2,1-2H3;2*1H
InChIKeyYVMCJVURUWZTJK-UHFFFAOYSA-N
XLogP1.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 51606505
3-ethyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 45088313
3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 52911275
3-(2,2,2-trifluoroethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62588062
8-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846312
(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 16767493
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987769
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987852
3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine
CID 71695363

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (CID 71756203) is 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.
What is the SMILES notation for 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The canonical SMILES for 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is CC(C)c1nnc2n1CCNC2.Cl.Cl.
What is the InChIKey of 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The InChIKey is YVMCJVURUWZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-6(2)8-11-10-7-5-9-3-4-12(7)8;;/h6,9H,3-5H2,1-2H3;2*1H.
What are the key properties of 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is sourced from PubChem (CID 71756203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).