4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine

C9H16N4O — CID 115293381

IUPAC4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine
SMILESCCn1cnnc1C1(N)CCOCC1
InChIInChI=1S/C9H16N4O/c1-2-13-7-11-12-8(13)9(10)3-5-14-6-4-9/h7H,2-6,10H2,1H3
InChIKeyIMGZNGLFCLAGTL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.26
Rot. Bonds2

About 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine

4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine (PubChem CID 115293381) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine
PubChem CID115293381
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine
SMILESCCn1cnnc1C1(N)CCOCC1
InChIInChI=1S/C9H16N4O/c1-2-13-7-11-12-8(13)9(10)3-5-14-6-4-9/h7H,2-6,10H2,1H3
InChIKeyIMGZNGLFCLAGTL-UHFFFAOYSA-N
XLogP0.26
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62694271
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine
CID 115293386
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987229
4-ethyl-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 63126328
4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole
CID 164660521
4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 55107399
4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine
CID 113280344
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine
CID 115292258
4-ethyl-2-[4-[3-[4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-yl]phenyl]sulfanylphenyl]-5-methyl-1,2,4-triazol-3-one
CID 24772652
1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]
CID 138040392

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine?
The IUPAC name of 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine (CID 115293381) is 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine.
What is the SMILES notation for 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine?
The canonical SMILES for 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine is CCn1cnnc1C1(N)CCOCC1.
What is the InChIKey of 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine?
The InChIKey is IMGZNGLFCLAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-13-7-11-12-8(13)9(10)3-5-14-6-4-9/h7H,2-6,10H2,1H3.
What are the key properties of 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine?
4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine is sourced from PubChem (CID 115293381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).