4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one

C17H22N8O — CID 56876864

IUPAC4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(CC2CCN(c3nnnn3-c3ccccc3)CC2)n[nH]c1=O
InChIInChI=1S/C17H22N8O/c1-2-24-15(18-20-17(24)26)12-13-8-10-23(11-9-13)16-19-21-22-25(16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,20,26)
InChIKeyANOWDZQRVRNFEZ-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.03
Rot. Bonds5

About 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one (PubChem CID 56876864) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
PubChem CID56876864
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(CC2CCN(c3nnnn3-c3ccccc3)CC2)n[nH]c1=O
InChIInChI=1S/C17H22N8O/c1-2-24-15(18-20-17(24)26)12-13-8-10-23(11-9-13)16-19-21-22-25(16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,20,26)
InChIKeyANOWDZQRVRNFEZ-UHFFFAOYSA-N
XLogP1.03
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

4-ethyl-3-[(3S)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95204094
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
CID 70749239
4-ethyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56861483
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56879689
[3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine
CID 155966790
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
CID 133341877
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55626803
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56864149

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one (CID 56876864) is 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one is CCn1c(CC2CCN(c3nnnn3-c3ccccc3)CC2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is ANOWDZQRVRNFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-2-24-15(18-20-17(24)26)12-13-8-10-23(11-9-13)16-19-21-22-25(16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,20,26).
What are the key properties of 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 354.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56876864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).