5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine

C8H8BrN5 — CID 106193127

IUPAC5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine
SMILESBrc1cncc(NCc2ncn[nH]2)c1
InChIInChI=1S/C8H8BrN5/c9-6-1-7(3-10-2-6)11-4-8-12-5-13-14-8/h1-3,5,11H,4H2,(H,12,13,14)
InChIKeyHRQNLMPZXJLRIC-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.57
Rot. Bonds3

About 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine

5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine (PubChem CID 106193127) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine
PubChem CID106193127
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine
SMILESBrc1cncc(NCc2ncn[nH]2)c1
InChIInChI=1S/C8H8BrN5/c9-6-1-7(3-10-2-6)11-4-8-12-5-13-14-8/h1-3,5,11H,4H2,(H,12,13,14)
InChIKeyHRQNLMPZXJLRIC-UHFFFAOYSA-N
XLogP1.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 55021438
5-bromo-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
CID 115770593
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 61360412
N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine
CID 62022406
2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
CID 64546102
5-fluoro-3-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,3-diamine
CID 64546495
5-bromo-2-(1H-1,2,4-triazol-5-ylmethylamino)benzonitrile
CID 114893690
4-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 65484002
5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine
CID 113260946
4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine
CID 79916272
6-bromo-4-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-3,4-diamine
CID 64548457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine (CID 106193127) is 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine is Brc1cncc(NCc2ncn[nH]2)c1.
What is the InChIKey of 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine?
The InChIKey is HRQNLMPZXJLRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c9-6-1-7(3-10-2-6)11-4-8-12-5-13-14-8/h1-3,5,11H,4H2,(H,12,13,14).
What are the key properties of 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine?
5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine has a molecular weight of 254.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 106193127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).