[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol

C9H17N5O2 — CID 106297503

IUPAC[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol
SMILESCn1nnc(CNC2(CO)CCOCC2)n1
InChIInChI=1S/C9H17N5O2/c1-14-12-8(11-13-14)6-10-9(7-15)2-4-16-5-3-9/h10,15H,2-7H2,1H3
InChIKeyRROUIJHYCCLDOB-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.16
Rot. Bonds4

About [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol

[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol (PubChem CID 106297503) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol
PubChem CID106297503
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol
SMILESCn1nnc(CNC2(CO)CCOCC2)n1
InChIInChI=1S/C9H17N5O2/c1-14-12-8(11-13-14)6-10-9(7-15)2-4-16-5-3-9/h10,15H,2-7H2,1H3
InChIKeyRROUIJHYCCLDOB-UHFFFAOYSA-N
XLogP-1.16
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
CID 107045762
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107166975
[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol
CID 106297060
1-(chloromethyl)-4-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054051
1-[(2-methyltetrazol-5-yl)methylamino]cyclobutane-1-carboxylic acid
CID 107045024
[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297418
4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine
CID 107046738
[4-[(1-methyltetrazol-5-yl)amino]oxan-4-yl]methanol
CID 106299427
[4-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297511
N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107042678
1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054049
[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol
CID 103765942

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol?
The IUPAC name of [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol (CID 106297503) is [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol is Cn1nnc(CNC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol?
The InChIKey is RROUIJHYCCLDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-14-12-8(11-13-14)6-10-9(7-15)2-4-16-5-3-9/h10,15H,2-7H2,1H3.
What are the key properties of [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol?
[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol has a molecular weight of 227.27 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol is sourced from PubChem (CID 106297503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).