1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole

C15H20N6 — CID 97262694

IUPAC1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
SMILESc1ccc(-n2nnnc2N2CC[C@H](N3CCCC3)C2)cc1
InChIInChI=1S/C15H20N6/c1-2-6-13(7-3-1)21-15(16-17-18-21)20-11-8-14(12-20)19-9-4-5-10-19/h1-3,6-7,14H,4-5,8-12H2/t14-/m0/s1
InChIKeyYJLDJWGRDSEPFU-AWEZNQCLSA-N
MW284.37 g/mol
LogP1.34
Rot. Bonds3

About 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole

1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole (PubChem CID 97262694) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
PubChem CID97262694
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
SMILESc1ccc(-n2nnnc2N2CC[C@H](N3CCCC3)C2)cc1
InChIInChI=1S/C15H20N6/c1-2-6-13(7-3-1)21-15(16-17-18-21)20-11-8-14(12-20)19-9-4-5-10-19/h1-3,6-7,14H,4-5,8-12H2/t14-/m0/s1
InChIKeyYJLDJWGRDSEPFU-AWEZNQCLSA-N
XLogP1.34
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
(4aR,8aS)-6-(1-phenyltetrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 154823989
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333
1-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]imidazolidin-2-one
CID 133314224
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95191744
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
CID 133341877
3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 17418452
1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 133458550

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole?
The IUPAC name of 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole (CID 97262694) is 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole?
The canonical SMILES for 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole is c1ccc(-n2nnnc2N2CC[C@H](N3CCCC3)C2)cc1.
What is the InChIKey of 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole?
The InChIKey is YJLDJWGRDSEPFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N6/c1-2-6-13(7-3-1)21-15(16-17-18-21)20-11-8-14(12-20)19-9-4-5-10-19/h1-3,6-7,14H,4-5,8-12H2/t14-/m0/s1.
What are the key properties of 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole?
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole has a molecular weight of 284.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole is sourced from PubChem (CID 97262694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).