N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

C10H18N4O — CID 106281995

IUPACN-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCC1CCOCC1)c1ncn[nH]1
InChIInChI=1S/C10H18N4O/c1-8(10-12-7-13-14-10)11-6-9-2-4-15-5-3-9/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyUHXMWHFUDNKIAI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds4

About N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106281995) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106281995
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCC1CCOCC1)c1ncn[nH]1
InChIInChI=1S/C10H18N4O/c1-8(10-12-7-13-14-10)11-6-9-2-4-15-5-3-9/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyUHXMWHFUDNKIAI-UHFFFAOYSA-N
XLogP0.88
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 126796183
(3S,5S)-1-methyl-5-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-amine
CID 74234861
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxan-4-amine
CID 125440078
(5-(Tetrahydro-2h-pyran-4-yl)-4h-1,2,4-triazol-3-yl)methanamine
CID 65335042
1-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-(4,4,4-trifluorobutan-2-yl)urea
CID 155953896
[2-(Oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 65648870
N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 65650815
5-(Oxan-4-yl)-1-propan-2-yl-1,2,4-triazole
CID 67734820
3-(oxan-4-yl)-1H-1,2,4-triazole
CID 91375415
Ethyl-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]azanium
CID 169041733
[2-(Oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methylazanium
CID 169041820
N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]ethanamine;hydrochloride
CID 169041862

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 106281995) is N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is CC(NCC1CCOCC1)c1ncn[nH]1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is UHXMWHFUDNKIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(10-12-7-13-14-10)11-6-9-2-4-15-5-3-9/h7-9,11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106281995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).