6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine

C17H15N7S — CID 133379870

IUPAC6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCc3nnc(-c4ccccc4)s3)nn2)n1
InChIInChI=1S/C17H15N7S/c1-12-9-10-24(23-12)15-8-7-14(19-20-15)18-11-16-21-22-17(25-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyMBGPNRFTSAEEQF-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.10
Rot. Bonds5

About 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine

6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine (PubChem CID 133379870) has the molecular formula C17H15N7S and a molecular weight of 349.42 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine
PubChem CID133379870
Molecular FormulaC17H15N7S
Molecular Weight349.42 g/mol
Exact Mass349.11
IUPAC Name6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCc3nnc(-c4ccccc4)s3)nn2)n1
InChIInChI=1S/C17H15N7S/c1-12-9-10-24(23-12)15-8-7-14(19-20-15)18-11-16-21-22-17(25-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyMBGPNRFTSAEEQF-UHFFFAOYSA-N
XLogP3.10
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine (CID 133379870) is 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine is Cc1ccn(-c2ccc(NCc3nnc(-c4ccccc4)s3)nn2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine?
The InChIKey is MBGPNRFTSAEEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7S/c1-12-9-10-24(23-12)15-8-7-14(19-20-15)18-11-16-21-22-17(25-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine?
6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine has a molecular weight of 349.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 133379870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).