[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine

C12H15ClN4O — CID 82196436

IUPAC[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
SMILESCOCc1c(CN)nnn1-c1cccc(Cl)c1C
InChIInChI=1S/C12H15ClN4O/c1-8-9(13)4-3-5-11(8)17-12(7-18-2)10(6-14)15-16-17/h3-5H,6-7,14H2,1-2H3
InChIKeyUOYCUBAJDBBRAP-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.83
Rot. Bonds4

About [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine

[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine (PubChem CID 82196436) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
PubChem CID82196436
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
SMILESCOCc1c(CN)nnn1-c1cccc(Cl)c1C
InChIInChI=1S/C12H15ClN4O/c1-8-9(13)4-3-5-11(8)17-12(7-18-2)10(6-14)15-16-17/h3-5H,6-7,14H2,1-2H3
InChIKeyUOYCUBAJDBBRAP-UHFFFAOYSA-N
XLogP1.83
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chloro-2-methylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 94937203
[1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
CID 82195423
[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine
CID 105498553
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671235
2-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]acetic acid
CID 43671444
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
ethyl 1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836315
1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carbaldehyde
CID 82196367
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
[5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220951
[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine
CID 82297300
5-butyl-1-(3-chloro-2-methylphenyl)triazole-4-carbonitrile
CID 82196375

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine (CID 82196436) is [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine is COCc1c(CN)nnn1-c1cccc(Cl)c1C.
What is the InChIKey of [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine?
The InChIKey is UOYCUBAJDBBRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-8-9(13)4-3-5-11(8)17-12(7-18-2)10(6-14)15-16-17/h3-5H,6-7,14H2,1-2H3.
What are the key properties of [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine?
[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine has a molecular weight of 266.73 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82196436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).