N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine

C9H17N5O — CID 107042746

IUPACN-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1nnn(C)n1)C1CCOC1
InChIInChI=1S/C9H17N5O/c1-7(8-3-4-15-6-8)10-5-9-11-13-14(2)12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJHXZUXAKOIDZQF-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.28
Rot. Bonds4

About N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 107042746) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID107042746
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1nnn(C)n1)C1CCOC1
InChIInChI=1S/C9H17N5O/c1-7(8-3-4-15-6-8)10-5-9-11-13-14(2)12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJHXZUXAKOIDZQF-UHFFFAOYSA-N
XLogP-0.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine (CID 107042746) is N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine is CC(NCc1nnn(C)n1)C1CCOC1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is JHXZUXAKOIDZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(8-3-4-15-6-8)10-5-9-11-13-14(2)12-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 211.27 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 107042746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).