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

C9H17N5O — CID 107053595

IUPAC[2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-7-9(6-10,3-4-15-7)5-8-11-13-14(2)12-8/h7H,3-6,10H2,1-2H3
InChIKeySFOJSDGIUVPFID-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.49
Rot. Bonds3

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

[2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 107053595) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is [2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine
PubChem CID107053595
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name[2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-7-9(6-10,3-4-15-7)5-8-11-13-14(2)12-8/h7H,3-6,10H2,1-2H3
InChIKeySFOJSDGIUVPFID-UHFFFAOYSA-N
XLogP-0.49
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine (CID 107053595) is [2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine is CC1OCCC1(CN)Cc1nnn(C)n1.
What is the InChIKey of [2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is SFOJSDGIUVPFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7-9(6-10,3-4-15-7)5-8-11-13-14(2)12-8/h7H,3-6,10H2,1-2H3.
What are the key properties of [2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine?
[2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 211.27 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 107053595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).