6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide

C12H17N7OS — CID 106909643

IUPAC6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESCC(C)n1c(N)nnc1SCc1cccc(C(=O)NN)n1
InChIInChI=1S/C12H17N7OS/c1-7(2)19-11(13)17-18-12(19)21-6-8-4-3-5-9(15-8)10(20)16-14/h3-5,7H,6,14H2,1-2H3,(H2,13,17)(H,16,20)
InChIKeyLOIIVCLAJGNWCT-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.73
Rot. Bonds5

About 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide

6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide (PubChem CID 106909643) has the molecular formula C12H17N7OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
PubChem CID106909643
Molecular FormulaC12H17N7OS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESCC(C)n1c(N)nnc1SCc1cccc(C(=O)NN)n1
InChIInChI=1S/C12H17N7OS/c1-7(2)19-11(13)17-18-12(19)21-6-8-4-3-5-9(15-8)10(20)16-14/h3-5,7H,6,14H2,1-2H3,(H2,13,17)(H,16,20)
InChIKeyLOIIVCLAJGNWCT-UHFFFAOYSA-N
XLogP0.73
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide with MolForge

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Related Compounds

4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63580138
5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63581050
5-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 84600812
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909697
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909660
6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909719
6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909676
5-[(2-methylphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 55179525
4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine
CID 63096477
6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide
CID 106909598
2-acetamido-3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 64581892

Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide (CID 106909643) is 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide is CC(C)n1c(N)nnc1SCc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The InChIKey is LOIIVCLAJGNWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7OS/c1-7(2)19-11(13)17-18-12(19)21-6-8-4-3-5-9(15-8)10(20)16-14/h3-5,7H,6,14H2,1-2H3,(H2,13,17)(H,16,20).
What are the key properties of 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide has a molecular weight of 307.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).