1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine

C14H19BrN4 — CID 65347601

IUPAC1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nnc3ccc(Br)cn23)CC1
InChIInChI=1S/C14H19BrN4/c1-2-10-5-7-14(16,8-6-10)13-18-17-12-4-3-11(15)9-19(12)13/h3-4,9-10H,2,5-8,16H2,1H3
InChIKeyCOJQEKNQOWQWBH-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.25
Rot. Bonds2

About 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine

1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine (PubChem CID 65347601) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine
PubChem CID65347601
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nnc3ccc(Br)cn23)CC1
InChIInChI=1S/C14H19BrN4/c1-2-10-5-7-14(16,8-6-10)13-18-17-12-4-3-11(15)9-19(12)13/h3-4,9-10H,2,5-8,16H2,1H3
InChIKeyCOJQEKNQOWQWBH-UHFFFAOYSA-N
XLogP3.25
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine (CID 65347601) is 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2nnc3ccc(Br)cn23)CC1.
What is the InChIKey of 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine?
The InChIKey is COJQEKNQOWQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-2-10-5-7-14(16,8-6-10)13-18-17-12-4-3-11(15)9-19(12)13/h3-4,9-10H,2,5-8,16H2,1H3.
What are the key properties of 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine?
1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine has a molecular weight of 323.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 65347601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).