5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole

C17H22N8 — CID 95293291

IUPAC5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
SMILESCc1nc(C)n(C[C@H]2CCCN2Cc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C17H22N8/c1-13-18-14(2)24(20-13)11-16-9-6-10-23(16)12-17-19-21-22-25(17)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3/t16-/m1/s1
InChIKeyGUBRTZTWMPROGR-MRXNPFEDSA-N
MW338.42 g/mol
LogP1.54
Rot. Bonds5

About 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole

5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole (PubChem CID 95293291) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
PubChem CID95293291
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
SMILESCc1nc(C)n(C[C@H]2CCCN2Cc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C17H22N8/c1-13-18-14(2)24(20-13)11-16-9-6-10-23(16)12-17-19-21-22-25(17)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3/t16-/m1/s1
InChIKeyGUBRTZTWMPROGR-MRXNPFEDSA-N
XLogP1.54
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole with MolForge

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Related Compounds

5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 95349117
1-[(2R)-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95343995
trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129485464
[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926252
2-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 95978858
(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95336727
2-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1H-benzimidazole
CID 95311602
4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 95292974
4-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 95310535
(4aS,8aS)-4-[(1-phenyltetrazol-5-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94032320
3,5-dimethyl-1-[[(2S)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95305451
1-(2,6-dimethylphenyl)-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]tetrazole
CID 95351858

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole?
The IUPAC name of 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole (CID 95293291) is 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole is Cc1nc(C)n(C[C@H]2CCCN2Cc2nnnn2-c2ccccc2)n1.
What is the InChIKey of 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole?
The InChIKey is GUBRTZTWMPROGR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N8/c1-13-18-14(2)24(20-13)11-16-9-6-10-23(16)12-17-19-21-22-25(17)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole?
5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole has a molecular weight of 338.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole is sourced from PubChem (CID 95293291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).