1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane

C13H17ClN6 — CID 141194236

IUPAC1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane
SMILESCC(c1nnn(-c2cccc(Cl)c2)n1)N1CCCNC1
InChIInChI=1S/C13H17ClN6/c1-10(19-7-3-6-15-9-19)13-16-18-20(17-13)12-5-2-4-11(14)8-12/h2,4-5,8,10,15H,3,6-7,9H2,1H3
InChIKeySBCNEVMGGVGTEO-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.63
Rot. Bonds3

About 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane

1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane (PubChem CID 141194236) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane.

Molecular Properties

Compound Name1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane
PubChem CID141194236
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane
SMILESCC(c1nnn(-c2cccc(Cl)c2)n1)N1CCCNC1
InChIInChI=1S/C13H17ClN6/c1-10(19-7-3-6-15-9-19)13-16-18-20(17-13)12-5-2-4-11(14)8-12/h2,4-5,8,10,15H,3,6-7,9H2,1H3
InChIKeySBCNEVMGGVGTEO-UHFFFAOYSA-N
XLogP1.63
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole
CID 143797429
6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 69205005
ethyl 4-[(1S)-1-[2-(5-chloro-2-fluorophenyl)tetrazol-5-yl]ethyl]piperazine-1-carboxylate
CID 11668082
1-[(3-chlorophenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane
CID 4615569
3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine
CID 69460917
2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde
CID 87601401
1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 4296958
3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid
CID 57459666
4-[2-amino-1-(3-chlorophenyl)propyl]-1,4-diazepan-2-one
CID 65361473
1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one
CID 115371054
8-[1-[2-(3-iodophenyl)tetrazol-5-yl]ethyl]-3-pyridin-4-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 11598513

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane?
The IUPAC name of 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane (CID 141194236) is 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane.
What is the SMILES notation for 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane?
The canonical SMILES for 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane is CC(c1nnn(-c2cccc(Cl)c2)n1)N1CCCNC1.
What is the InChIKey of 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane?
The InChIKey is SBCNEVMGGVGTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-10(19-7-3-6-15-9-19)13-16-18-20(17-13)12-5-2-4-11(14)8-12/h2,4-5,8,10,15H,3,6-7,9H2,1H3.
What are the key properties of 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane?
1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane has a molecular weight of 292.77 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethyl]-1,3-diazinane is sourced from PubChem (CID 141194236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).