6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine

C12H17N5O — CID 63589349

IUPAC6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCCOc1cccc(NC(C)c2nncn2C)n1
InChIInChI=1S/C12H17N5O/c1-4-18-11-7-5-6-10(15-11)14-9(2)12-16-13-8-17(12)3/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyNSGPVHBQYVKFBT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.78
Rot. Bonds5

About 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine

6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 63589349) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
PubChem CID63589349
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCCOc1cccc(NC(C)c2nncn2C)n1
InChIInChI=1S/C12H17N5O/c1-4-18-11-7-5-6-10(15-11)14-9(2)12-16-13-8-17(12)3/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyNSGPVHBQYVKFBT-UHFFFAOYSA-N
XLogP1.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (CID 63589349) is 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is CCOc1cccc(NC(C)c2nncn2C)n1.
What is the InChIKey of 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is NSGPVHBQYVKFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-18-11-7-5-6-10(15-11)14-9(2)12-16-13-8-17(12)3/h5-9H,4H2,1-3H3,(H,14,15).
What are the key properties of 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 63589349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).