1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol

C17H22N8O — CID 45199817

IUPAC1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(C2CCN(c3nnnn3-c3ccccc3)CC2)nn1
InChIInChI=1S/C17H22N8O/c1-13(26)11-14-12-24(21-18-14)15-7-9-23(10-8-15)17-19-20-22-25(17)16-5-3-2-4-6-16/h2-6,12-13,15,26H,7-11H2,1H3
InChIKeyOUUJGPGTEVAGPY-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.02
Rot. Bonds5

About 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol

1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol (PubChem CID 45199817) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
PubChem CID45199817
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(C2CCN(c3nnnn3-c3ccccc3)CC2)nn1
InChIInChI=1S/C17H22N8O/c1-13(26)11-14-12-24(21-18-14)15-7-9-23(10-8-15)17-19-20-22-25(17)16-5-3-2-4-6-16/h2-6,12-13,15,26H,7-11H2,1H3
InChIKeyOUUJGPGTEVAGPY-UHFFFAOYSA-N
XLogP1.02
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28955111
(2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 95046606
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine
CID 133277918
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
CID 133341877
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol (CID 45199817) is 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol is CC(O)Cc1cn(C2CCN(c3nnnn3-c3ccccc3)CC2)nn1.
What is the InChIKey of 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol?
The InChIKey is OUUJGPGTEVAGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-13(26)11-14-12-24(21-18-14)15-7-9-23(10-8-15)17-19-20-22-25(17)16-5-3-2-4-6-16/h2-6,12-13,15,26H,7-11H2,1H3.
What are the key properties of 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol?
1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol has a molecular weight of 354.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 45199817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).