4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol

C8H14N4O2 — CID 107045762

IUPAC4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
SMILESCn1nnc(CC2(O)CCOCC2)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-7(9-11-12)6-8(13)2-4-14-5-3-8/h13H,2-6H2,1H3
InChIKeyNTPABAQKJZUKKH-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.71
Rot. Bonds2

About 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol

4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol (PubChem CID 107045762) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
PubChem CID107045762
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
SMILESCn1nnc(CC2(O)CCOCC2)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-7(9-11-12)6-8(13)2-4-14-5-3-8/h13H,2-6H2,1H3
InChIKeyNTPABAQKJZUKKH-UHFFFAOYSA-N
XLogP-0.71
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine
CID 107046738
[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297503
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107166975
4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol
CID 107045763
3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine
CID 107046699
2-methoxy-N-[[4-[(2-methyltetrazol-5-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 107053257
3,3,5-trimethyl-1-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-ol
CID 107045668
N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 107053238
[2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine
CID 107053595
1-[(2-methyltetrazol-5-yl)methyl]cyclopropane-1-carbaldehyde
CID 131054132
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 107053296

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol?
The IUPAC name of 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol (CID 107045762) is 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol is Cn1nnc(CC2(O)CCOCC2)n1.
What is the InChIKey of 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol?
The InChIKey is NTPABAQKJZUKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12-10-7(9-11-12)6-8(13)2-4-14-5-3-8/h13H,2-6H2,1H3.
What are the key properties of 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol?
4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol has a molecular weight of 198.23 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol is sourced from PubChem (CID 107045762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).