1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole

C10H16N8 — CID 155954481

IUPAC1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole
SMILESCn1nnnc1CCN1CCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C10H16N8/c1-17-9(13-15-16-17)4-6-18-5-2-3-8(18)10-11-7-12-14-10/h7-8H,2-6H2,1H3,(H,11,12,14)/t8-/m0/s1
InChIKeyRPCJSQMZVAOQEA-QMMMGPOBSA-N
MW248.29 g/mol
LogP-0.29
Rot. Bonds4

About 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole

1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole (PubChem CID 155954481) has the molecular formula C10H16N8 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole
PubChem CID155954481
Molecular FormulaC10H16N8
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole
SMILESCn1nnnc1CCN1CCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C10H16N8/c1-17-9(13-15-16-17)4-6-18-5-2-3-8(18)10-11-7-12-14-10/h7-8H,2-6H2,1H3,(H,11,12,14)/t8-/m0/s1
InChIKeyRPCJSQMZVAOQEA-QMMMGPOBSA-N
XLogP-0.29
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-5-{[2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-1,2,4-triazole
CID 77090173
(3S)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 129613238
2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole
CID 136585671
4-methyl-3-propan-2-yl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 138025128
2-tert-butyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 138025139
(2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine
CID 129401283
(2R)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine
CID 129401284
5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)tetrazole
CID 138025137
1-[(2S,4S)-4-fluoro-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 167744073
1-[3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1H-1,2,4-triazol-5-yl]-N-methyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 167859681
3-isobutyl-5-[1-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazole
CID 50954918
1-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)methyl]-2-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine
CID 128994916

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole?
The IUPAC name of 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole (CID 155954481) is 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole.
What is the SMILES notation for 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole?
The canonical SMILES for 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole is Cn1nnnc1CCN1CCC[C@H]1c1ncn[nH]1.
What is the InChIKey of 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole?
The InChIKey is RPCJSQMZVAOQEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N8/c1-17-9(13-15-16-17)4-6-18-5-2-3-8(18)10-11-7-12-14-10/h7-8H,2-6H2,1H3,(H,11,12,14)/t8-/m0/s1.
What are the key properties of 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole?
1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole has a molecular weight of 248.29 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole is sourced from PubChem (CID 155954481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).