1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol

C15H19N5O2 — CID 133353221

IUPAC1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCCc1cc(NCC(C)(O)c2ccc(C)o2)n2ncnc2n1
InChIInChI=1S/C15H19N5O2/c1-4-11-7-13(20-14(19-11)17-9-18-20)16-8-15(3,21)12-6-5-10(2)22-12/h5-7,9,16,21H,4,8H2,1-3H3
InChIKeyIWQKRGHXWNHOOQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.91
Rot. Bonds5

About 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 133353221) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID133353221
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCCc1cc(NCC(C)(O)c2ccc(C)o2)n2ncnc2n1
InChIInChI=1S/C15H19N5O2/c1-4-11-7-13(20-14(19-11)17-9-18-20)16-8-15(3,21)12-6-5-10(2)22-12/h5-7,9,16,21H,4,8H2,1-3H3
InChIKeyIWQKRGHXWNHOOQ-UHFFFAOYSA-N
XLogP1.91
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 133353221) is 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol is CCc1cc(NCC(C)(O)c2ccc(C)o2)n2ncnc2n1.
What is the InChIKey of 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is IWQKRGHXWNHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-4-11-7-13(20-14(19-11)17-9-18-20)16-8-15(3,21)12-6-5-10(2)22-12/h5-7,9,16,21H,4,8H2,1-3H3.
What are the key properties of 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol?
1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 301.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 133353221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).