[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine

C9H10BrN5 — CID 104810230

IUPAC[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2cncc(Br)c2)nn1
InChIInChI=1S/C9H10BrN5/c10-8-1-7(3-12-4-8)5-15-6-9(2-11)13-14-15/h1,3-4,6H,2,5,11H2
InChIKeyCWUKMOPDNVOION-UHFFFAOYSA-N
MW268.12 g/mol
LogP0.94
Rot. Bonds3

About [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine

[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine (PubChem CID 104810230) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine
PubChem CID104810230
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2cncc(Br)c2)nn1
InChIInChI=1S/C9H10BrN5/c10-8-1-7(3-12-4-8)5-15-6-9(2-11)13-14-15/h1,3-4,6H,2,5,11H2
InChIKeyCWUKMOPDNVOION-UHFFFAOYSA-N
XLogP0.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 104813415
2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine
CID 104810232
3-bromo-5-[(4-iodopyrazol-1-yl)methyl]pyridine
CID 115641056
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 107345465
[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine
CID 62054119
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
[1-[[3,5-bis[[4-(aminomethyl)triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]methanamine
CID 172508919
1-[(3-bromo-5-fluorophenyl)methyl]-4-(chloromethyl)triazole
CID 79708774
[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 104811795
bis([1-[(2-bromophenyl)methyl]triazol-4-yl]methanamine);trihydrochloride
CID 163346129
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine (CID 104810230) is [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine is NCc1cn(Cc2cncc(Br)c2)nn1.
What is the InChIKey of [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine?
The InChIKey is CWUKMOPDNVOION-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c10-8-1-7(3-12-4-8)5-15-6-9(2-11)13-14-15/h1,3-4,6H,2,5,11H2.
What are the key properties of [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine?
[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine has a molecular weight of 268.12 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 104810230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).