2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine

C15H22N10 — CID 129003770

IUPAC2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCCn1nnnc1CN1CCN(c2cncc3nc(C)nn23)CC1
InChIInChI=1S/C15H22N10/c1-3-4-24-14(18-20-21-24)11-22-5-7-23(8-6-22)15-10-16-9-13-17-12(2)19-25(13)15/h9-10H,3-8,11H2,1-2H3
InChIKeyRIAITDIICUMJAT-UHFFFAOYSA-N
MW342.41 g/mol
LogP0.15
Rot. Bonds5

About 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine

2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129003770) has the molecular formula C15H22N10 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129003770
Molecular FormulaC15H22N10
Molecular Weight342.41 g/mol
Exact Mass342.20
IUPAC Name2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCCn1nnnc1CN1CCN(c2cncc3nc(C)nn23)CC1
InChIInChI=1S/C15H22N10/c1-3-4-24-14(18-20-21-24)11-22-5-7-23(8-6-22)15-10-16-9-13-17-12(2)19-25(13)15/h9-10H,3-8,11H2,1-2H3
InChIKeyRIAITDIICUMJAT-UHFFFAOYSA-N
XLogP0.15
TPSA93.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 129003770) is 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine is CCCn1nnnc1CN1CCN(c2cncc3nc(C)nn23)CC1.
What is the InChIKey of 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is RIAITDIICUMJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N10/c1-3-4-24-14(18-20-21-24)11-22-5-7-23(8-6-22)15-10-16-9-13-17-12(2)19-25(13)15/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 342.41 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129003770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).