[5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine

C10H11BrN4 — CID 82207882

IUPAC[5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1-c1cccc(Br)c1
InChIInChI=1S/C10H11BrN4/c1-15-10(9(6-12)13-14-15)7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3
InChIKeyDGTRIQQYPXUXFK-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.70
Rot. Bonds2

About [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine

[5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine (PubChem CID 82207882) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine
PubChem CID82207882
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name[5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1-c1cccc(Br)c1
InChIInChI=1S/C10H11BrN4/c1-15-10(9(6-12)13-14-15)7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3
InChIKeyDGTRIQQYPXUXFK-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
[5-(3-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 94944816
5-(3-bromophenyl)-1-methyltriazole-4-carbonitrile
CID 82207681
[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207937
3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 94946315
5-(3-bromophenyl)-1-methyltetrazole
CID 66904947
[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine
CID 106463197
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
[5-(3-bromophenyl)-1-methylpyrazol-4-yl]methanol
CID 18613291
2-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206450
4-benzyl-1-methyl-5-phenyltriazole
CID 102338119

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine (CID 82207882) is [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine is Cn1nnc(CN)c1-c1cccc(Br)c1.
What is the InChIKey of [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine?
The InChIKey is DGTRIQQYPXUXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-15-10(9(6-12)13-14-15)7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3.
What are the key properties of [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine?
[5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 82207882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).