[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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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).