N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine

C9H16N4O — CID 65360675

IUPACN-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ncn[nH]1)C1CCOC1
InChIInChI=1S/C9H16N4O/c1-2-10-8(7-3-4-14-5-7)9-11-6-12-13-9/h6-8,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyYDOOWISJAQLUNW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.49
Rot. Bonds4

About N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine

N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine (PubChem CID 65360675) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
PubChem CID65360675
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ncn[nH]1)C1CCOC1
InChIInChI=1S/C9H16N4O/c1-2-10-8(7-3-4-14-5-7)9-11-6-12-13-9/h6-8,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyYDOOWISJAQLUNW-UHFFFAOYSA-N
XLogP0.49
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine (CID 65360675) is N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine is CCNC(c1ncn[nH]1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The InChIKey is YDOOWISJAQLUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-10-8(7-3-4-14-5-7)9-11-6-12-13-9/h6-8,10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine has a molecular weight of 196.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65360675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).