5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride

C10H16Cl2N6 — CID 47002733

IUPAC5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride
SMILESCc1cc(N2CCNCC2)n2ncnc2n1.Cl.Cl
InChIInChI=1S/C10H14N6.2ClH/c1-8-6-9(15-4-2-11-3-5-15)16-10(14-8)12-7-13-16;;/h6-7,11H,2-5H2,1H3;2*1H
InChIKeyWKGPTIKLDROTBC-UHFFFAOYSA-N
MW291.19 g/mol
LogP0.69
Rot. Bonds1

About 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride

5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride (PubChem CID 47002733) has the molecular formula C10H16Cl2N6 and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride
PubChem CID47002733
Molecular FormulaC10H16Cl2N6
Molecular Weight291.19 g/mol
Exact Mass290.08
IUPAC Name5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride
SMILESCc1cc(N2CCNCC2)n2ncnc2n1.Cl.Cl
InChIInChI=1S/C10H14N6.2ClH/c1-8-6-9(15-4-2-11-3-5-15)16-10(14-8)12-7-13-16;;/h6-7,11H,2-5H2,1H3;2*1H
InChIKeyWKGPTIKLDROTBC-UHFFFAOYSA-N
XLogP0.69
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride?
The IUPAC name of 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride (CID 47002733) is 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride.
What is the SMILES notation for 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride?
The canonical SMILES for 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride is Cc1cc(N2CCNCC2)n2ncnc2n1.Cl.Cl.
What is the InChIKey of 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride?
The InChIKey is WKGPTIKLDROTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6.2ClH/c1-8-6-9(15-4-2-11-3-5-15)16-10(14-8)12-7-13-16;;/h6-7,11H,2-5H2,1H3;2*1H.
What are the key properties of 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride?
5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride has a molecular weight of 291.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride is sourced from PubChem (CID 47002733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).