5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine

C9H13N7 — CID 104977511

IUPAC5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESC[C@H]1CN(c2cncc3nnnn23)CCN1
InChIInChI=1S/C9H13N7/c1-7-6-15(3-2-11-7)9-5-10-4-8-12-13-14-16(8)9/h4-5,7,11H,2-3,6H2,1H3/t7-/m0/s1
InChIKeyPGCHIFVFWVNKLA-ZETCQYMHSA-N
MW219.25 g/mol
LogP-0.68
Rot. Bonds1

About 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine

5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 104977511) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID104977511
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESC[C@H]1CN(c2cncc3nnnn23)CCN1
InChIInChI=1S/C9H13N7/c1-7-6-15(3-2-11-7)9-5-10-4-8-12-13-14-16(8)9/h4-5,7,11H,2-3,6H2,1H3/t7-/m0/s1
InChIKeyPGCHIFVFWVNKLA-ZETCQYMHSA-N
XLogP-0.68
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine (CID 104977511) is 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine is C[C@H]1CN(c2cncc3nnnn23)CCN1.
What is the InChIKey of 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is PGCHIFVFWVNKLA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N7/c1-7-6-15(3-2-11-7)9-5-10-4-8-12-13-14-16(8)9/h4-5,7,11H,2-3,6H2,1H3/t7-/m0/s1.
What are the key properties of 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine?
5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 219.25 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104977511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).