1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C10H11Br2N5 — CID 113428371

IUPAC1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnc(CNCc2ncc(Br)cc2Br)n1
InChIInChI=1S/C10H11Br2N5/c1-17-6-15-10(16-17)5-13-4-9-8(12)2-7(11)3-14-9/h2-3,6,13H,4-5H2,1H3
InChIKeyHJVLMQSQOMKMKX-UHFFFAOYSA-N
MW361.04 g/mol
LogP2.02
Rot. Bonds4

About 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 113428371) has the molecular formula C10H11Br2N5 and a molecular weight of 361.04 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID113428371
Molecular FormulaC10H11Br2N5
Molecular Weight361.04 g/mol
Exact Mass358.94
IUPAC Name1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnc(CNCc2ncc(Br)cc2Br)n1
InChIInChI=1S/C10H11Br2N5/c1-17-6-15-10(16-17)5-13-4-9-8(12)2-7(11)3-14-9/h2-3,6,13H,4-5H2,1H3
InChIKeyHJVLMQSQOMKMKX-UHFFFAOYSA-N
XLogP2.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.04
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275470
1-(2-bromo-5-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884449
1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124590
N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 113393640
2-[(3,5-dibromo-2-pyridinyl)methylamino]-N-methylethanesulfonamide
CID 102680182
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113428364
6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol
CID 104573881
1-(5-bromo-2-propoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884481
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183499
1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol
CID 104573831
1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 104879569
5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 104924731

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 113428371) is 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cn1cnc(CNCc2ncc(Br)cc2Br)n1.
What is the InChIKey of 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is HJVLMQSQOMKMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N5/c1-17-6-15-10(16-17)5-13-4-9-8(12)2-7(11)3-14-9/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 361.04 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 113428371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).