[2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride

C8H15ClN4O — CID 169041822

IUPAC[2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1ncnn1C1CCOCC1
InChIInChI=1S/C8H14N4O.ClH/c9-5-8-10-6-11-12(8)7-1-3-13-4-2-7;/h6-7H,1-5,9H2;1H
InChIKeyUJBOCHRWEKOEEA-UHFFFAOYSA-N
MW218.69 g/mol
LogP0.51
Rot. Bonds2

About [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride

[2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride (PubChem CID 169041822) has the molecular formula C8H15ClN4O and a molecular weight of 218.69 g/mol. Its IUPAC name is [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
PubChem CID169041822
Molecular FormulaC8H15ClN4O
Molecular Weight218.69 g/mol
Exact Mass218.09
IUPAC Name[2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1ncnn1C1CCOCC1
InChIInChI=1S/C8H14N4O.ClH/c9-5-8-10-6-11-12(8)7-1-3-13-4-2-7;/h6-7H,1-5,9H2;1H
InChIKeyUJBOCHRWEKOEEA-UHFFFAOYSA-N
XLogP0.51
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxan-4-amine
CID 125440078
[2-[3-(2,2,2-Trifluoroethoxy)propyl]-1,2,4-triazol-3-yl]methanamine
CID 65648230
5-Tert-butyl-1-(oxan-4-yl)-1,2,4-triazole
CID 59129104
[2-(Oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 65648870
4-[2-(5-Methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine
CID 141027534
3-Methyl-4-(oxan-4-yl)-1,2,4-triazole
CID 149572513
3-Methyl-1-(oxan-4-yl)-1,2,4-triazole
CID 165375305
[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
(1-((Tetrahydro-2H-pyran-4-YL)methyl)-1H-1,2,4-triazol-5-YL)methanamine hydrochloride
CID 169041933
[2-[(4-Methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride
CID 169041954
[2-[(4-Methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 172809299

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride (CID 169041822) is [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride is Cl.NCc1ncnn1C1CCOCC1.
What is the InChIKey of [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The InChIKey is UJBOCHRWEKOEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.ClH/c9-5-8-10-6-11-12(8)7-1-3-13-4-2-7;/h6-7H,1-5,9H2;1H.
What are the key properties of [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
[2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 169041822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).