6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone

C13H16N6O — CID 64574914

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone
SMILESCc1ccc(NN)c(C(=O)N2CCn3cnnc3C2)c1
InChIInChI=1S/C13H16N6O/c1-9-2-3-11(16-14)10(6-9)13(20)18-4-5-19-8-15-17-12(19)7-18/h2-3,6,8,16H,4-5,7,14H2,1H3
InChIKeySRHPUUIXRFCTKT-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.53
Rot. Bonds2

About 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone (PubChem CID 64574914) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone
PubChem CID64574914
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone
SMILESCc1ccc(NN)c(C(=O)N2CCn3cnnc3C2)c1
InChIInChI=1S/C13H16N6O/c1-9-2-3-11(16-14)10(6-9)13(20)18-4-5-19-8-15-17-12(19)7-18/h2-3,6,8,16H,4-5,7,14H2,1H3
InChIKeySRHPUUIXRFCTKT-UHFFFAOYSA-N
XLogP0.53
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone
CID 63586995
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
CID 64575489
(2-amino-5-hydroxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 107075438
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-(ethylamino)phenyl]methanone
CID 64575650
(2-bromo-3-methylphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 103854269
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-sulfanylphenyl)methanone
CID 107030887
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylbenzoic acid
CID 64575249
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone
CID 63586636
4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66062632
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574911
N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 115622101

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone (CID 64574914) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone is Cc1ccc(NN)c(C(=O)N2CCn3cnnc3C2)c1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone?
The InChIKey is SRHPUUIXRFCTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-2-3-11(16-14)10(6-9)13(20)18-4-5-19-8-15-17-12(19)7-18/h2-3,6,8,16H,4-5,7,14H2,1H3.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone is sourced from PubChem (CID 64574914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).