6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine

C12H14N8 — CID 133449534

IUPAC6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCCn3ccnn3)nn2)n1
InChIInChI=1S/C12H14N8/c1-10-4-7-20(17-10)12-3-2-11(15-16-12)13-5-8-19-9-6-14-18-19/h2-4,6-7,9H,5,8H2,1H3,(H,13,15)
InChIKeyJNFGSARESRNYOO-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.67
Rot. Bonds5

About 6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine

6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine (PubChem CID 133449534) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
PubChem CID133449534
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCCn3ccnn3)nn2)n1
InChIInChI=1S/C12H14N8/c1-10-4-7-20(17-10)12-3-2-11(15-16-12)13-5-8-19-9-6-14-18-19/h2-4,6-7,9H,5,8H2,1H3,(H,13,15)
InChIKeyJNFGSARESRNYOO-UHFFFAOYSA-N
XLogP0.67
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
CID 133449492
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide
CID 122327369
4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122327312
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
CID 16654390
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133346670
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine
CID 133332696
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133459940
2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid
CID 113412914

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine (CID 133449534) is 6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine is Cc1ccn(-c2ccc(NCCn3ccnn3)nn2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine?
The InChIKey is JNFGSARESRNYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-10-4-7-20(17-10)12-3-2-11(15-16-12)13-5-8-19-9-6-14-18-19/h2-4,6-7,9H,5,8H2,1H3,(H,13,15).
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine?
6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine has a molecular weight of 270.30 g/mol, XLogP of 0.67, 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-[2-(triazol-1-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 133449534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).