(6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C15H21N5 — CID 102037909

IUPAC(6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)C[C@H]1Cn2nnnc2CN1Cc1ccccc1
InChIInChI=1S/C15H21N5/c1-12(2)8-14-10-20-15(16-17-18-20)11-19(14)9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyOPJKDFJSDWQZQD-AWEZNQCLSA-N
MW271.37 g/mol
LogP2.10
Rot. Bonds4

About (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

(6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 102037909) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID102037909
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name(6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)C[C@H]1Cn2nnnc2CN1Cc1ccccc1
InChIInChI=1S/C15H21N5/c1-12(2)8-14-10-20-15(16-17-18-20)11-19(14)9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyOPJKDFJSDWQZQD-AWEZNQCLSA-N
XLogP2.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-2-benzyl-3-(2-methylpropyl)thiazetidine 1,1-dioxide
CID 131857515
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
5-[1-(1-benzylaziridin-2-yl)propan-2-yl]-3,4-dihydro-2H-pyrrole
CID 132571343
8-benzyl-9-(2-methylpropyl)-1,8,11,18,21,22,23-heptazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione
CID 135035061
(1S)-N,N-dibenzyl-1-[(2S)-1-benzylaziridin-2-yl]-3-methylbutan-1-amine
CID 10810913
(2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine
CID 101363841
1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 133458550
1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole
CID 163754312
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584

Frequently Asked Questions

What is the IUPAC name of (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 102037909) is (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(C)C[C@H]1Cn2nnnc2CN1Cc1ccccc1.
What is the InChIKey of (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is OPJKDFJSDWQZQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5/c1-12(2)8-14-10-20-15(16-17-18-20)11-19(14)9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
(6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 271.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 102037909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).