N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C9H15N7S — CID 62246102

IUPACN-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCN(Cc1cnn(C)c1)Cc1nnsc1NN
InChIInChI=1S/C9H15N7S/c1-15(4-7-3-11-16(2)5-7)6-8-9(12-10)17-14-13-8/h3,5,12H,4,6,10H2,1-2H3
InChIKeyBFEPCOLQIYQYEV-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.19
Rot. Bonds5

About N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 62246102) has the molecular formula C9H15N7S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID62246102
Molecular FormulaC9H15N7S
Molecular Weight253.33 g/mol
Exact Mass253.11
IUPAC NameN-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCN(Cc1cnn(C)c1)Cc1nnsc1NN
InChIInChI=1S/C9H15N7S/c1-15(4-7-3-11-16(2)5-7)6-8-9(12-10)17-14-13-8/h3,5,12H,4,6,10H2,1-2H3
InChIKeyBFEPCOLQIYQYEV-UHFFFAOYSA-N
XLogP0.19
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 62246102) is N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CN(Cc1cnn(C)c1)Cc1nnsc1NN.
What is the InChIKey of N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is BFEPCOLQIYQYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7S/c1-15(4-7-3-11-16(2)5-7)6-8-9(12-10)17-14-13-8/h3,5,12H,4,6,10H2,1-2H3.
What are the key properties of N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 253.33 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 62246102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).