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

C8H15N5O — CID 107046699

IUPAC3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine
SMILESCn1nnc(CC2(N)CCCOC2)n1
InChIInChI=1S/C8H15N5O/c1-13-11-7(10-12-13)5-8(9)3-2-4-14-6-8/h2-6,9H2,1H3
InChIKeyLQBFXDHGFFNAOP-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.74
Rot. Bonds2

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

3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine (PubChem CID 107046699) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine
PubChem CID107046699
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine
SMILESCn1nnc(CC2(N)CCCOC2)n1
InChIInChI=1S/C8H15N5O/c1-13-11-7(10-12-13)5-8(9)3-2-4-14-6-8/h2-6,9H2,1H3
InChIKeyLQBFXDHGFFNAOP-UHFFFAOYSA-N
XLogP-0.74
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine (CID 107046699) is 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine is Cn1nnc(CC2(N)CCCOC2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine?
The InChIKey is LQBFXDHGFFNAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-13-11-7(10-12-13)5-8(9)3-2-4-14-6-8/h2-6,9H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine?
3-[(2-methyltetrazol-5-yl)methyl]oxan-3-amine has a molecular weight of 197.24 g/mol, XLogP of -0.74, 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]oxan-3-amine is sourced from PubChem (CID 107046699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).