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

C24H31N7 — CID 652753

IUPAC1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine
SMILESc1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C24H31N7/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/h1,3-4,7-10,13,18,22-23H,2,5-6,11-12,14-17,19H2
InChIKeyPQYHSKFDBZABDY-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.16
Rot. Bonds6

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

1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine (PubChem CID 652753) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine
PubChem CID652753
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine
SMILESc1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C24H31N7/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/h1,3-4,7-10,13,18,22-23H,2,5-6,11-12,14-17,19H2
InChIKeyPQYHSKFDBZABDY-UHFFFAOYSA-N
XLogP3.16
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
1-(5-Chloro-2-methyl-phenyl)-4-[(1-cyclohexyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-piperazine
CID 647675
1-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyridin-3-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3229211
4-[[1-(2-Phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
2-(1-Imidazolyl)-4-phenyl-6-(4-phenyl-1-piperazinyl)-1,3,5-triazine
CID 1266904
4-(4-benzylpiperazin-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 991140
4-[4-(Diphenylmethyl)piperazinyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 1049534
5,6-Diphenyl-3-pyridin-4-yl-1,2,4-triazine
CID 6409328
2-[4-[4-Benzyl-5-(triazol-2-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10318802
2-[4-(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 10359487
2-[4-[5-Methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10383074
2-[4-(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11278622

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine (CID 652753) is 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine is c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine?
The InChIKey is PQYHSKFDBZABDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/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/h1,3-4,7-10,13,18,22-23H,2,5-6,11-12,14-17,19H2.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine?
1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine has a molecular weight of 417.56 g/mol, XLogP of 3.16, 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-cyclohexylpiperazine is sourced from PubChem (CID 652753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).