[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride

C5H11ClN4O — CID 122156641

IUPAC[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCOCc1nc(CN)n[nH]1.Cl
InChIInChI=1S/C5H10N4O.ClH/c1-10-3-5-7-4(2-6)8-9-5;/h2-3,6H2,1H3,(H,7,8,9);1H
InChIKeyDTZBJPKOFDWLRR-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.17
Rot. Bonds3

About [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride

[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride (PubChem CID 122156641) has the molecular formula C5H11ClN4O and a molecular weight of 178.62 g/mol. Its IUPAC name is [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride
PubChem CID122156641
Molecular FormulaC5H11ClN4O
Molecular Weight178.62 g/mol
Exact Mass178.06
IUPAC Name[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCOCc1nc(CN)n[nH]1.Cl
InChIInChI=1S/C5H10N4O.ClH/c1-10-3-5-7-4(2-6)8-9-5;/h2-3,6H2,1H3,(H,7,8,9);1H
InChIKeyDTZBJPKOFDWLRR-UHFFFAOYSA-N
XLogP-0.17
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1H-1,2,4-triazol-5-amine
CID 3794450
1-(5-Methyl-1H-1,2,4-triazol-3-yl)methanamine
CID 1382012
(3-methyl-1H-1,2,4-triazol-5-yl)methanamine hydrochloride
CID 52988119
ethyl 5-(aminomethyl)-1H-1,2,4-triazole-3-carboxylate hydrochloride
CID 75481698
[5-(aminomethyl)-4H-1,2,4-triazol-3-yl]methanol hydrochloride
CID 126817079
(1S)-1-[5-(Aminomethyl)-1H-1,2,4-triazol-3-yl]ethanol;hydrochloride
CID 137935635
(1R)-1-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]ethan-1-ol hydrochloride
CID 137935759
[3-[(1S)-1-Aminoethyl]-1H-1,2,4-triazol-5-yl]methanol;hydrochloride
CID 155858655
{5-[(1r)-1-Aminoethyl]-4h-1,2,4-triazol-3-yl}methanol dihydrochloride
CID 155858828
{3-[(1S)-1-aminoethyl]-1H-1,2,4-triazol-5-yl}methanol dihydrochloride
CID 155943806
Ethyl 5-(aminomethyl)-1H-1,2,4-triazole-3-carboxylate
CID 10727000
3,5-Bis(methoxymethyl)-1H-1,2,4-triazole
CID 13927750

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride (CID 122156641) is [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride is COCc1nc(CN)n[nH]1.Cl.
What is the InChIKey of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The InChIKey is DTZBJPKOFDWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.ClH/c1-10-3-5-7-4(2-6)8-9-5;/h2-3,6H2,1H3,(H,7,8,9);1H.
What are the key properties of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride?
[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 122156641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).