[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine

C12H18N8 — CID 81006440

IUPAC[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(N2CCn3cnnc3C2)n1
InChIInChI=1S/C12H18N8/c1-3-9-15-11(17-13)8(2)12(16-9)19-4-5-20-7-14-18-10(20)6-19/h7H,3-6,13H2,1-2H3,(H,15,16,17)
InChIKeyTYDORCBNMJHLKC-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.24
Rot. Bonds3

About [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine

[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 81006440) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID81006440
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(N2CCn3cnnc3C2)n1
InChIInChI=1S/C12H18N8/c1-3-9-15-11(17-13)8(2)12(16-9)19-4-5-20-7-14-18-10(20)6-19/h7H,3-6,13H2,1-2H3,(H,15,16,17)
InChIKeyTYDORCBNMJHLKC-UHFFFAOYSA-N
XLogP0.24
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 80977508
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 81006102
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80985531
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 81006896
[6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81007728
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 113336423
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64575666
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80826867
7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 81006622
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 81006239
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103328311
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198717

Frequently Asked Questions

What is the IUPAC name of [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (CID 81006440) is [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(N2CCn3cnnc3C2)n1.
What is the InChIKey of [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is TYDORCBNMJHLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-3-9-15-11(17-13)8(2)12(16-9)19-4-5-20-7-14-18-10(20)6-19/h7H,3-6,13H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 274.33 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81006440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).