5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide

C10H17N5OS — CID 107378653

IUPAC5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide
SMILESCSCCCCNC(=O)c1cnc(NN)cn1
InChIInChI=1S/C10H17N5OS/c1-17-5-3-2-4-12-10(16)8-6-14-9(15-11)7-13-8/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyCIIIKOPNQRBIKE-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.64
Rot. Bonds7

About 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide

5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide (PubChem CID 107378653) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide
PubChem CID107378653
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide
SMILESCSCCCCNC(=O)c1cnc(NN)cn1
InChIInChI=1S/C10H17N5OS/c1-17-5-3-2-4-12-10(16)8-6-14-9(15-11)7-13-8/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyCIIIKOPNQRBIKE-UHFFFAOYSA-N
XLogP0.64
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 106340836
N-(2-fluoroethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 130504959
5-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2-carboxamide
CID 107378322
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
5-hydrazinyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazine-2-carboxamide
CID 107378643
N-(2,2-dimethylpropyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377627
5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 113488256
6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide
CID 114129261
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 104641430
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide (CID 107378653) is 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide is CSCCCCNC(=O)c1cnc(NN)cn1.
What is the InChIKey of 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide?
The InChIKey is CIIIKOPNQRBIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-17-5-3-2-4-12-10(16)8-6-14-9(15-11)7-13-8/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide?
5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide has a molecular weight of 255.35 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107378653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).