[2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine

C9H13N7S — CID 80938720

IUPAC[2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C9H13N7S/c1-3-6-12-7(14-10)4-8(13-6)17-9-11-5(2)15-16-9/h4H,3,10H2,1-2H3,(H,11,15,16)(H,12,13,14)
InChIKeyAGHUCPDSIIHOPE-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.90
Rot. Bonds4

About [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine

[2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine (PubChem CID 80938720) has the molecular formula C9H13N7S and a molecular weight of 251.32 g/mol. Its IUPAC name is [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
PubChem CID80938720
Molecular FormulaC9H13N7S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name[2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C9H13N7S/c1-3-6-12-7(14-10)4-8(13-6)17-9-11-5(2)15-16-9/h4H,3,10H2,1-2H3,(H,11,15,16)(H,12,13,14)
InChIKeyAGHUCPDSIIHOPE-UHFFFAOYSA-N
XLogP0.90
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 80937261
[2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766316
(2-propyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80947503
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80939777
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720293
3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80938523
[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80940852
[2-(methoxymethyl)-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 113402011
methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
CID 80940205
N-methyl-1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-amine
CID 114066599
2-ethyl-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine
CID 80937642

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine (CID 80938720) is [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Sc2n[nH]c(C)n2)n1.
What is the InChIKey of [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The InChIKey is AGHUCPDSIIHOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S/c1-3-6-12-7(14-10)4-8(13-6)17-9-11-5(2)15-16-9/h4H,3,10H2,1-2H3,(H,11,15,16)(H,12,13,14).
What are the key properties of [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
[2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine has a molecular weight of 251.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80938720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).