oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine

C8H14N4O — CID 65363356

IUPACoxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ncn[nH]1)C1CCOCC1
InChIInChI=1S/C8H14N4O/c9-7(8-10-5-11-12-8)6-1-3-13-4-2-6/h5-7H,1-4,9H2,(H,10,11,12)
InChIKeyCIEALOQETUGDSA-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.23
Rot. Bonds2

About oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine

oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65363356) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Nameoxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65363356
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Nameoxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ncn[nH]1)C1CCOCC1
InChIInChI=1S/C8H14N4O/c9-7(8-10-5-11-12-8)6-1-3-13-4-2-6/h5-7H,1-4,9H2,(H,10,11,12)
InChIKeyCIEALOQETUGDSA-UHFFFAOYSA-N
XLogP0.23
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 65363411
1-oxa-9-thiaspiro[5.5]undecan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 79911337
(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine
CID 102970245
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 79748155
(S)-oxan-4-yl(1H-pyrrol-2-yl)methanamine
CID 130967183
[5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230654
(S)-(6-bromo-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240760
(5-fluoro-2-pyridinyl)-(oxan-4-yl)methanamine
CID 79721967
(R)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247446
(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240730

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine (CID 65363356) is oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine is NC(c1ncn[nH]1)C1CCOCC1.
What is the InChIKey of oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is CIEALOQETUGDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-7(8-10-5-11-12-8)6-1-3-13-4-2-6/h5-7H,1-4,9H2,(H,10,11,12).
What are the key properties of oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine?
oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 182.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65363356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).