1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole

C6H10N4O2 — CID 759866

IUPAC1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole
SMILESc1nnnn1C[C@@H]1CCOCO1
InChIInChI=1S/C6H10N4O2/c1-2-11-5-12-6(1)3-10-4-7-8-9-10/h4,6H,1-3,5H2/t6-/m0/s1
InChIKeyYOGCLMNFUGZTMS-LURJTMIESA-N
MW170.17 g/mol
LogP-0.56
Rot. Bonds2

About 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole

1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole (PubChem CID 759866) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole.

Molecular Properties

Compound Name1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole
PubChem CID759866
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole
SMILESc1nnnn1C[C@@H]1CCOCO1
InChIInChI=1S/C6H10N4O2/c1-2-11-5-12-6(1)3-10-4-7-8-9-10/h4,6H,1-3,5H2/t6-/m0/s1
InChIKeyYOGCLMNFUGZTMS-LURJTMIESA-N
XLogP-0.56
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole?
The IUPAC name of 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole (CID 759866) is 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole.
What is the SMILES notation for 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole?
The canonical SMILES for 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole is c1nnnn1C[C@@H]1CCOCO1.
What is the InChIKey of 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole?
The InChIKey is YOGCLMNFUGZTMS-LURJTMIESA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-11-5-12-6(1)3-10-4-7-8-9-10/h4,6H,1-3,5H2/t6-/m0/s1.
What are the key properties of 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole?
1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole has a molecular weight of 170.17 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-1,3-dioxan-4-yl]methyl]tetrazole is sourced from PubChem (CID 759866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).