3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine

C7H13N5O — CID 107057215

IUPAC3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine
SMILESCn1nnc(CC2(N)CCOC2)n1
InChIInChI=1S/C7H13N5O/c1-12-10-6(9-11-12)4-7(8)2-3-13-5-7/h2-5,8H2,1H3
InChIKeySMYOMFYJSUHJRK-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.13
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine

3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine (PubChem CID 107057215) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine
PubChem CID107057215
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine
SMILESCn1nnc(CC2(N)CCOC2)n1
InChIInChI=1S/C7H13N5O/c1-12-10-6(9-11-12)4-7(8)2-3-13-5-7/h2-5,8H2,1H3
InChIKeySMYOMFYJSUHJRK-UHFFFAOYSA-N
XLogP-1.13
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine (CID 107057215) is 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine is Cn1nnc(CC2(N)CCOC2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine?
The InChIKey is SMYOMFYJSUHJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12-10-6(9-11-12)4-7(8)2-3-13-5-7/h2-5,8H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine?
3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine has a molecular weight of 183.21 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 107057215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).