5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine

C11H13N5O — CID 170566565

IUPAC5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine
SMILESCOc1c(N)cncc1-c1cnn(C2CC2)n1
InChIInChI=1S/C11H13N5O/c1-17-11-8(4-13-5-9(11)12)10-6-14-16(15-10)7-2-3-7/h4-7H,2-3,12H2,1H3
InChIKeyFQPGURLTDGQGBI-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.27
Rot. Bonds3

About 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine

5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine (PubChem CID 170566565) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine.

Molecular Properties

Compound Name5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine
PubChem CID170566565
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine
SMILESCOc1c(N)cncc1-c1cnn(C2CC2)n1
InChIInChI=1S/C11H13N5O/c1-17-11-8(4-13-5-9(11)12)10-6-14-16(15-10)7-2-3-7/h4-7H,2-3,12H2,1H3
InChIKeyFQPGURLTDGQGBI-UHFFFAOYSA-N
XLogP1.27
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine?
The IUPAC name of 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine (CID 170566565) is 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine.
What is the SMILES notation for 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine?
The canonical SMILES for 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine is COc1c(N)cncc1-c1cnn(C2CC2)n1.
What is the InChIKey of 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine?
The InChIKey is FQPGURLTDGQGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-17-11-8(4-13-5-9(11)12)10-6-14-16(15-10)7-2-3-7/h4-7H,2-3,12H2,1H3.
What are the key properties of 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine?
5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine has a molecular weight of 231.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine is sourced from PubChem (CID 170566565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).