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

C8H14Cl2N4 — CID 155822249

IUPAC3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESC1Cn2c(nnc2C2CC2)CN1.Cl.Cl
InChIInChI=1S/C8H12N4.2ClH/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8;;/h6,9H,1-5H2;2*1H
InChIKeyCDHJUIPVSHHTIQ-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.10
Rot. Bonds1

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

3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (PubChem CID 155822249) has the molecular formula C8H14Cl2N4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
PubChem CID155822249
Molecular FormulaC8H14Cl2N4
Molecular Weight237.13 g/mol
Exact Mass236.06
IUPAC Name3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESC1Cn2c(nnc2C2CC2)CN1.Cl.Cl
InChIInChI=1S/C8H12N4.2ClH/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8;;/h6,9H,1-5H2;2*1H
InChIKeyCDHJUIPVSHHTIQ-UHFFFAOYSA-N
XLogP1.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The IUPAC name of 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (CID 155822249) is 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.
What is the SMILES notation for 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The canonical SMILES for 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is C1Cn2c(nnc2C2CC2)CN1.Cl.Cl.
What is the InChIKey of 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The InChIKey is CDHJUIPVSHHTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.2ClH/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8;;/h6,9H,1-5H2;2*1H.
What are the key properties of 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is sourced from PubChem (CID 155822249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).