(2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide

C18H19FN6O3 — CID 9160258

IUPAC(2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C18H19FN6O3/c1-10-15(11(2)25-18(22-10)20-9-21-25)8-16(26)23-24-17(27)12(3)28-14-6-4-13(19)5-7-14/h4-7,9,12H,8H2,1-3H3,(H,23,26)(H,24,27)/t12-/m0/s1
InChIKeyFZVOMGYZWDWDOZ-LBPRGKRZSA-N
MW386.39 g/mol
LogP1.04
Rot. Bonds5

About (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide

(2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 9160258) has the molecular formula C18H19FN6O3 and a molecular weight of 386.39 g/mol. Its IUPAC name is (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID9160258
Molecular FormulaC18H19FN6O3
Molecular Weight386.39 g/mol
Exact Mass386.15
IUPAC Name(2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C18H19FN6O3/c1-10-15(11(2)25-18(22-10)20-9-21-25)8-16(26)23-24-17(27)12(3)28-14-6-4-13(19)5-7-14/h4-7,9,12H,8H2,1-3H3,(H,23,26)(H,24,27)/t12-/m0/s1
InChIKeyFZVOMGYZWDWDOZ-LBPRGKRZSA-N
XLogP1.04
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide (CID 9160258) is (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide is Cc1nc2ncnn2c(C)c1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1.
What is the InChIKey of (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is FZVOMGYZWDWDOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN6O3/c1-10-15(11(2)25-18(22-10)20-9-21-25)8-16(26)23-24-17(27)12(3)28-14-6-4-13(19)5-7-14/h4-7,9,12H,8H2,1-3H3,(H,23,26)(H,24,27)/t12-/m0/s1.
What are the key properties of (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
(2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 386.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 9160258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).