N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine

C8H13N5O — CID 164651634

IUPACN-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine
SMILESCN(CC12COCC1C2)c1nn[nH]n1
InChIInChI=1S/C8H13N5O/c1-13(7-9-11-12-10-7)4-8-2-6(8)3-14-5-8/h6H,2-5H2,1H3,(H,9,10,11,12)
InChIKeyMEXZGLIXJKAZIX-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.33
Rot. Bonds3

About N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine

N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine (PubChem CID 164651634) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine
PubChem CID164651634
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC NameN-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine
SMILESCN(CC12COCC1C2)c1nn[nH]n1
InChIInChI=1S/C8H13N5O/c1-13(7-9-11-12-10-7)4-8-2-6(8)3-14-5-8/h6H,2-5H2,1H3,(H,9,10,11,12)
InChIKeyMEXZGLIXJKAZIX-UHFFFAOYSA-N
XLogP-0.33
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine?
The IUPAC name of N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine (CID 164651634) is N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine?
The canonical SMILES for N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine is CN(CC12COCC1C2)c1nn[nH]n1.
What is the InChIKey of N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine?
The InChIKey is MEXZGLIXJKAZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13(7-9-11-12-10-7)4-8-2-6(8)3-14-5-8/h6H,2-5H2,1H3,(H,9,10,11,12).
What are the key properties of N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine?
N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine has a molecular weight of 195.23 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine is sourced from PubChem (CID 164651634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).