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

C11H15ClN4O — CID 91640314

IUPAC[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride
SMILESCOCc1nc(C(N)c2ccccc2)n[nH]1.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-16-7-9-13-11(15-14-9)10(12)8-5-3-2-4-6-8;/h2-6,10H,7,12H2,1H3,(H,13,14,15);1H
InChIKeyRYJOVCPPKGYEJT-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.42
Rot. Bonds4

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

[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride (PubChem CID 91640314) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride
PubChem CID91640314
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride
SMILESCOCc1nc(C(N)c2ccccc2)n[nH]1.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-16-7-9-13-11(15-14-9)10(12)8-5-3-2-4-6-8;/h2-6,10H,7,12H2,1H3,(H,13,14,15);1H
InChIKeyRYJOVCPPKGYEJT-UHFFFAOYSA-N
XLogP1.42
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.42
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]-phenylmethanamine;hydrochloride?
The IUPAC name of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride (CID 91640314) is [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride.
What is the SMILES notation for [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride?
The canonical SMILES for [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride is COCc1nc(C(N)c2ccccc2)n[nH]1.Cl.
What is the InChIKey of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride?
The InChIKey is RYJOVCPPKGYEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.ClH/c1-16-7-9-13-11(15-14-9)10(12)8-5-3-2-4-6-8;/h2-6,10H,7,12H2,1H3,(H,13,14,15);1H.
What are the key properties of [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride?
[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 1.42, 4 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]-phenylmethanamine;hydrochloride is sourced from PubChem (CID 91640314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).