N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide

C10H15N5OS2 — CID 107378656

IUPACN-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)NCC2CSCCS2)cn1
InChIInChI=1S/C10H15N5OS2/c11-15-9-5-12-8(4-13-9)10(16)14-3-7-6-17-1-2-18-7/h4-5,7H,1-3,6,11H2,(H,13,15)(H,14,16)
InChIKeyOJDDMAWHPJITSR-UHFFFAOYSA-N
MW285.40 g/mol
LogP0.34
Rot. Bonds4

About N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide

N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107378656) has the molecular formula C10H15N5OS2 and a molecular weight of 285.40 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107378656
Molecular FormulaC10H15N5OS2
Molecular Weight285.40 g/mol
Exact Mass285.07
IUPAC NameN-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)NCC2CSCCS2)cn1
InChIInChI=1S/C10H15N5OS2/c11-15-9-5-12-8(4-13-9)10(16)14-3-7-6-17-1-2-18-7/h4-5,7H,1-3,6,11H2,(H,13,15)(H,14,16)
InChIKeyOJDDMAWHPJITSR-UHFFFAOYSA-N
XLogP0.34
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 50.34
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

N-(cyclopentylmethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378088
6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 119999138
5-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107377630
2-cyclopentyl-N-[[(2R)-1,4-dithian-2-yl]methyl]pyrimidine-4-carboxamide
CID 99703901
N-(2-fluoroethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 130504959
N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378131
4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide
CID 115752010
N-(2,2-dimethylpropyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377627
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridine-3-carboxamide
CID 115687003
N-(1,4-dithian-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 115739489
4-bromo-N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115687010

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide (CID 107378656) is N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide is NNc1cnc(C(=O)NCC2CSCCS2)cn1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is OJDDMAWHPJITSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS2/c11-15-9-5-12-8(4-13-9)10(16)14-3-7-6-17-1-2-18-7/h4-5,7H,1-3,6,11H2,(H,13,15)(H,14,16).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide?
N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 285.40 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107378656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).