N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine

C8H15N5O — CID 164651622

IUPACN-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine
SMILESCC(Nc1nn[nH]n1)C1CCCCO1
InChIInChI=1S/C8H15N5O/c1-6(7-4-2-3-5-14-7)9-8-10-12-13-11-8/h6-7H,2-5H2,1H3,(H2,9,10,11,12,13)
InChIKeyPXQLQLJDOKVFFY-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.57
Rot. Bonds3

About N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine

N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine (PubChem CID 164651622) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine
PubChem CID164651622
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine
SMILESCC(Nc1nn[nH]n1)C1CCCCO1
InChIInChI=1S/C8H15N5O/c1-6(7-4-2-3-5-14-7)9-8-10-12-13-11-8/h6-7H,2-5H2,1H3,(H2,9,10,11,12,13)
InChIKeyPXQLQLJDOKVFFY-UHFFFAOYSA-N
XLogP0.57
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine (CID 164651622) is N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine is CC(Nc1nn[nH]n1)C1CCCCO1.
What is the InChIKey of N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine?
The InChIKey is PXQLQLJDOKVFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(7-4-2-3-5-14-7)9-8-10-12-13-11-8/h6-7H,2-5H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine?
N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine has a molecular weight of 197.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 164651622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).