5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H25N5O — CID 133350008

IUPAC5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(c2ccc(CC)o2)C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C18H25N5O/c1-6-12-10-15(23-17(21-12)19-11-20-23)22-16(18(3,4)5)14-9-8-13(7-2)24-14/h8-11,16,22H,6-7H2,1-5H3
InChIKeyKRELSJBHCFJJPC-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.04
Rot. Bonds5

About 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133350008) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133350008
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(c2ccc(CC)o2)C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C18H25N5O/c1-6-12-10-15(23-17(21-12)19-11-20-23)22-16(18(3,4)5)14-9-8-13(7-2)24-14/h8-11,16,22H,6-7H2,1-5H3
InChIKeyKRELSJBHCFJJPC-UHFFFAOYSA-N
XLogP4.04
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133350008) is 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC(c2ccc(CC)o2)C(C)(C)C)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KRELSJBHCFJJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-6-12-10-15(23-17(21-12)19-11-20-23)22-16(18(3,4)5)14-9-8-13(7-2)24-14/h8-11,16,22H,6-7H2,1-5H3.
What are the key properties of 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133350008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).