3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide

C18H23N5O2 — CID 3240477

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C18H23N5O2/c1-12(6-7-15-5-4-10-25-15)21-17(24)9-8-16-13(2)22-18-19-11-20-23(18)14(16)3/h4-5,10-12H,6-9H2,1-3H3,(H,21,24)
InChIKeyUWJWKQWJJVDWHU-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.40
Rot. Bonds7

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide (PubChem CID 3240477) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide
PubChem CID3240477
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C18H23N5O2/c1-12(6-7-15-5-4-10-25-15)21-17(24)9-8-16-13(2)22-18-19-11-20-23(18)14(16)3/h4-5,10-12H,6-9H2,1-3H3,(H,21,24)
InChIKeyUWJWKQWJJVDWHU-UHFFFAOYSA-N
XLogP2.40
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide (CID 3240477) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)CCc1ccco1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide?
The InChIKey is UWJWKQWJJVDWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(6-7-15-5-4-10-25-15)21-17(24)9-8-16-13(2)22-18-19-11-20-23(18)14(16)3/h4-5,10-12H,6-9H2,1-3H3,(H,21,24).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide has a molecular weight of 341.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide is sourced from PubChem (CID 3240477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).