3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

C10H15N7OS — CID 80979774

IUPAC3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCC(C)c1nc(NN)cc(Sc2n[nH]c(=O)n2C)n1
InChIInChI=1S/C10H15N7OS/c1-5(2)8-12-6(14-11)4-7(13-8)19-10-16-15-9(18)17(10)3/h4-5H,11H2,1-3H3,(H,15,18)(H,12,13,14)
InChIKeyGQGJYKNLTNEFBI-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.46
Rot. Bonds4

About 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 80979774) has the molecular formula C10H15N7OS and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID80979774
Molecular FormulaC10H15N7OS
Molecular Weight281.35 g/mol
Exact Mass281.11
IUPAC Name3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCC(C)c1nc(NN)cc(Sc2n[nH]c(=O)n2C)n1
InChIInChI=1S/C10H15N7OS/c1-5(2)8-12-6(14-11)4-7(13-8)19-10-16-15-9(18)17(10)3/h4-5H,11H2,1-3H3,(H,15,18)(H,12,13,14)
InChIKeyGQGJYKNLTNEFBI-UHFFFAOYSA-N
XLogP0.46
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80963523
[6-(4-chlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980286
[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80973046
4-methyl-3-[6-(methylamino)-2-propylpyrimidin-4-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 80946770
3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80937504
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80929026
3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80929311
3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102720320
3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80892539
3-[(6-hydrazinyl-2-pyridinyl)sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 80928895
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980095
N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 113431996

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (CID 80979774) is 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is CC(C)c1nc(NN)cc(Sc2n[nH]c(=O)n2C)n1.
What is the InChIKey of 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is GQGJYKNLTNEFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7OS/c1-5(2)8-12-6(14-11)4-7(13-8)19-10-16-15-9(18)17(10)3/h4-5H,11H2,1-3H3,(H,15,18)(H,12,13,14).
What are the key properties of 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 281.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 80979774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).