5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine

C16H16BrN5 — CID 133404438

IUPAC5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NC(C)c2cn(-c3ccccc3)nn2)ncc1Br
InChIInChI=1S/C16H16BrN5/c1-11-8-16(18-9-14(11)17)19-12(2)15-10-22(21-20-15)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyIZZGFMMVDJEZQO-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.91
Rot. Bonds4

About 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine

5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 133404438) has the molecular formula C16H16BrN5 and a molecular weight of 358.24 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine
PubChem CID133404438
Molecular FormulaC16H16BrN5
Molecular Weight358.24 g/mol
Exact Mass357.06
IUPAC Name5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NC(C)c2cn(-c3ccccc3)nn2)ncc1Br
InChIInChI=1S/C16H16BrN5/c1-11-8-16(18-9-14(11)17)19-12(2)15-10-22(21-20-15)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyIZZGFMMVDJEZQO-UHFFFAOYSA-N
XLogP3.91
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine (CID 133404438) is 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine is Cc1cc(NC(C)c2cn(-c3ccccc3)nn2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is IZZGFMMVDJEZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5/c1-11-8-16(18-9-14(11)17)19-12(2)15-10-22(21-20-15)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine?
5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 358.24 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 133404438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).