8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine

C15H16ClN7 — CID 164642111

IUPAC8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESC[C@H]1CN(c2cccc(Cl)c2)CCN1c1nccn2nnnc12
InChIInChI=1S/C15H16ClN7/c1-11-10-21(13-4-2-3-12(16)9-13)7-8-22(11)14-15-18-19-20-23(15)6-5-17-14/h2-6,9,11H,7-8,10H2,1H3/t11-/m0/s1
InChIKeyOPHNFXLAYNZWDS-NSHDSACASA-N
MW329.80 g/mol
LogP1.89
Rot. Bonds2

About 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine

8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 164642111) has the molecular formula C15H16ClN7 and a molecular weight of 329.80 g/mol. Its IUPAC name is 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID164642111
Molecular FormulaC15H16ClN7
Molecular Weight329.80 g/mol
Exact Mass329.12
IUPAC Name8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESC[C@H]1CN(c2cccc(Cl)c2)CCN1c1nccn2nnnc12
InChIInChI=1S/C15H16ClN7/c1-11-10-21(13-4-2-3-12(16)9-13)7-8-22(11)14-15-18-19-20-23(15)6-5-17-14/h2-6,9,11H,7-8,10H2,1H3/t11-/m0/s1
InChIKeyOPHNFXLAYNZWDS-NSHDSACASA-N
XLogP1.89
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine (CID 164642111) is 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine is C[C@H]1CN(c2cccc(Cl)c2)CCN1c1nccn2nnnc12.
What is the InChIKey of 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is OPHNFXLAYNZWDS-NSHDSACASA-N. The full InChI is InChI=1S/C15H16ClN7/c1-11-10-21(13-4-2-3-12(16)9-13)7-8-22(11)14-15-18-19-20-23(15)6-5-17-14/h2-6,9,11H,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine?
8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 329.80 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 164642111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).