3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C19H22N6O3 — CID 3240767

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22N6O3/c1-13-15(14(2)25-19(22-13)20-12-21-25)5-6-17(26)23-7-9-24(10-8-23)18(27)16-4-3-11-28-16/h3-4,11-12H,5-10H2,1-2H3
InChIKeyDCHKCBKTMDTXOD-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.25
Rot. Bonds4

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 3240767) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID3240767
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22N6O3/c1-13-15(14(2)25-19(22-13)20-12-21-25)5-6-17(26)23-7-9-24(10-8-23)18(27)16-4-3-11-28-16/h3-4,11-12H,5-10H2,1-2H3
InChIKeyDCHKCBKTMDTXOD-UHFFFAOYSA-N
XLogP1.25
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 3240767) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is DCHKCBKTMDTXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-13-15(14(2)25-19(22-13)20-12-21-25)5-6-17(26)23-7-9-24(10-8-23)18(27)16-4-3-11-28-16/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 382.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 3240767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).