5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide

C9H8BrN5O — CID 55021438

IUPAC5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cncc(Br)c1
InChIInChI=1S/C9H8BrN5O/c10-7-1-6(2-11-3-7)9(16)12-4-8-13-5-14-15-8/h1-3,5H,4H2,(H,12,16)(H,13,14,15)
InChIKeyFBOIVSXOTRFBEF-UHFFFAOYSA-N
MW282.10 g/mol
LogP0.89
Rot. Bonds3

About 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide

5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 55021438) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID55021438
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC Name5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cncc(Br)c1
InChIInChI=1S/C9H8BrN5O/c10-7-1-6(2-11-3-7)9(16)12-4-8-13-5-14-15-8/h1-3,5H,4H2,(H,12,16)(H,13,14,15)
InChIKeyFBOIVSXOTRFBEF-UHFFFAOYSA-N
XLogP0.89
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
3-bromo-4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113244827
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-3-amine
CID 106193127
4-bromo-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]benzamide
CID 60982809
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185
2-amino-4-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 79719718
5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113256537
N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide
CID 60981874
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382
3-iodo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60983434
6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 64525579

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide (CID 55021438) is 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ncn[nH]1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is FBOIVSXOTRFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O/c10-7-1-6(2-11-3-7)9(16)12-4-8-13-5-14-15-8/h1-3,5H,4H2,(H,12,16)(H,13,14,15).
What are the key properties of 5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide?
5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 282.10 g/mol, XLogP of 0.89, 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)pyridine-3-carboxamide is sourced from PubChem (CID 55021438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).