1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine

C13H20N6S — CID 124625428

IUPAC1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine
SMILESC[C@H](c1ccsc1)N1CCN(Cc2nnn(C)n2)CC1
InChIInChI=1S/C13H20N6S/c1-11(12-3-8-20-10-12)19-6-4-18(5-7-19)9-13-14-16-17(2)15-13/h3,8,10-11H,4-7,9H2,1-2H3/t11-/m1/s1
InChIKeyIQVMKQNIKCSCNP-LLVKDONJSA-N
MW292.41 g/mol
LogP1.15
Rot. Bonds4

About 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine

1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine (PubChem CID 124625428) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine
PubChem CID124625428
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine
SMILESC[C@H](c1ccsc1)N1CCN(Cc2nnn(C)n2)CC1
InChIInChI=1S/C13H20N6S/c1-11(12-3-8-20-10-12)19-6-4-18(5-7-19)9-13-14-16-17(2)15-13/h3,8,10-11H,4-7,9H2,1-2H3/t11-/m1/s1
InChIKeyIQVMKQNIKCSCNP-LLVKDONJSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine (CID 124625428) is 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine is C[C@H](c1ccsc1)N1CCN(Cc2nnn(C)n2)CC1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine?
The InChIKey is IQVMKQNIKCSCNP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N6S/c1-11(12-3-8-20-10-12)19-6-4-18(5-7-19)9-13-14-16-17(2)15-13/h3,8,10-11H,4-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine?
1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine has a molecular weight of 292.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine is sourced from PubChem (CID 124625428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).