1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine

C24H25N7 — CID 654593

IUPAC1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine
SMILESc1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N7/c1-3-8-20(9-4-1)19-31-24(26-27-28-31)23(21-10-7-13-25-18-21)30-16-14-29(15-17-30)22-11-5-2-6-12-22/h1-13,18,23H,14-17,19H2
InChIKeyLNWCSHCCFJYCEZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.03
Rot. Bonds6

About 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine

1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine (PubChem CID 654593) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine
PubChem CID654593
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine
SMILESc1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N7/c1-3-8-20(9-4-1)19-31-24(26-27-28-31)23(21-10-7-13-25-18-21)30-16-14-29(15-17-30)22-11-5-2-6-12-22/h1-13,18,23H,14-17,19H2
InChIKeyLNWCSHCCFJYCEZ-UHFFFAOYSA-N
XLogP3.03
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine (CID 654593) is 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine is c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
The InChIKey is LNWCSHCCFJYCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-3-8-20(9-4-1)19-31-24(26-27-28-31)23(21-10-7-13-25-18-21)30-16-14-29(15-17-30)22-11-5-2-6-12-22/h1-13,18,23H,14-17,19H2.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine has a molecular weight of 411.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-phenylpiperazine is sourced from PubChem (CID 654593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).