[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine

C11H13ClN4O — CID 82207921

IUPAC[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1COc1ccccc1Cl
InChIInChI=1S/C11H13ClN4O/c1-16-10(9(6-13)14-15-16)7-17-11-5-3-2-4-8(11)12/h2-5H,6-7,13H2,1H3
InChIKeyJZTNWOKOKIJVTF-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.51
Rot. Bonds4

About [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine

[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine (PubChem CID 82207921) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine
PubChem CID82207921
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1COc1ccccc1Cl
InChIInChI=1S/C11H13ClN4O/c1-16-10(9(6-13)14-15-16)7-17-11-5-3-2-4-8(11)12/h2-5H,6-7,13H2,1H3
InChIKeyJZTNWOKOKIJVTF-UHFFFAOYSA-N
XLogP1.51
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207915
[5-[(2-chlorophenoxy)methyl]-1-pentyltriazol-4-yl]methanamine
CID 94944035
[5-[(2-chlorophenoxy)methyl]-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481637
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
[5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol
CID 82207746
2-[5-[(2-chlorophenoxy)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667157
4-[(2-chlorophenoxy)methyl]-1-methylimidazole
CID 117191456
[5-[(2-chlorophenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204645
5-[(2-chlorophenoxy)methyl]-1-pentyltriazole-4-carbonitrile
CID 82205781
4-[(2-chlorophenoxy)methyl]-1-phenyltriazole
CID 3065713
[5-(phenoxymethyl)-1-propan-2-yltriazol-4-yl]methanamine
CID 82207066
5-[(2-chlorophenoxy)methyl]-1-phenyltriazole-4-carbonitrile
CID 94939874

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine (CID 82207921) is [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine is Cn1nnc(CN)c1COc1ccccc1Cl.
What is the InChIKey of [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine?
The InChIKey is JZTNWOKOKIJVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-16-10(9(6-13)14-15-16)7-17-11-5-3-2-4-8(11)12/h2-5H,6-7,13H2,1H3.
What are the key properties of [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine?
[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine has a molecular weight of 252.71 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 82207921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).