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

C11H16N6 — CID 55037969

IUPAC6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cc(NC(C)c2nncn2C)ncn1
InChIInChI=1S/C11H16N6/c1-4-9-5-10(13-6-12-9)15-8(2)11-16-14-7-17(11)3/h5-8H,4H2,1-3H3,(H,12,13,15)
InChIKeyOHAPEASUHCBQSD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.34
Rot. Bonds4

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

6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 55037969) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID55037969
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cc(NC(C)c2nncn2C)ncn1
InChIInChI=1S/C11H16N6/c1-4-9-5-10(13-6-12-9)15-8(2)11-16-14-7-17(11)3/h5-8H,4H2,1-3H3,(H,12,13,15)
InChIKeyOHAPEASUHCBQSD-UHFFFAOYSA-N
XLogP1.34
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 55037969) is 6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is CCc1cc(NC(C)c2nncn2C)ncn1.
What is the InChIKey of 6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is OHAPEASUHCBQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-4-9-5-10(13-6-12-9)15-8(2)11-16-14-7-17(11)3/h5-8H,4H2,1-3H3,(H,12,13,15).
What are the key properties of 6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 55037969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).