5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine

C11H14BrN5 — CID 71970966

IUPAC5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)Cc1ncnn1C
InChIInChI=1S/C11H14BrN5/c1-8-4-9(12)5-13-11(8)16(2)6-10-14-7-15-17(10)3/h4-5,7H,6H2,1-3H3
InChIKeySBAMVMRCUFOGQB-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.92
Rot. Bonds3

About 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine

5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine (PubChem CID 71970966) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
PubChem CID71970966
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)Cc1ncnn1C
InChIInChI=1S/C11H14BrN5/c1-8-4-9(12)5-13-11(8)16(2)6-10-14-7-15-17(10)3/h4-5,7H,6H2,1-3H3
InChIKeySBAMVMRCUFOGQB-UHFFFAOYSA-N
XLogP1.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine (CID 71970966) is 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine is Cc1cc(Br)cnc1N(C)Cc1ncnn1C.
What is the InChIKey of 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is SBAMVMRCUFOGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-8-4-9(12)5-13-11(8)16(2)6-10-14-7-15-17(10)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine?
5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 296.17 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 71970966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).