5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile

C12H15N7 — CID 78998795

IUPAC5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCCc2ncn[nH]2)c(C#N)c1C
InChIInChI=1S/C12H15N7/c1-8-9(2)17-19-12(10(8)6-13)14-5-3-4-11-15-7-16-18-11/h7H,3-5H2,1-2H3,(H,14,19)(H,15,16,18)
InChIKeyNGXWKANFADVLPM-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.13
Rot. Bonds5

About 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile (PubChem CID 78998795) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile
PubChem CID78998795
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCCc2ncn[nH]2)c(C#N)c1C
InChIInChI=1S/C12H15N7/c1-8-9(2)17-19-12(10(8)6-13)14-5-3-4-11-15-7-16-18-11/h7H,3-5H2,1-2H3,(H,14,19)(H,15,16,18)
InChIKeyNGXWKANFADVLPM-UHFFFAOYSA-N
XLogP1.13
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535380
3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 126796537
2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 81052464
6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 66327697
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133465065
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195112
4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile
CID 54884747

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile (CID 78998795) is 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile is Cc1nnc(NCCCc2ncn[nH]2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile?
The InChIKey is NGXWKANFADVLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-8-9(2)17-19-12(10(8)6-13)14-5-3-4-11-15-7-16-18-11/h7H,3-5H2,1-2H3,(H,14,19)(H,15,16,18).
What are the key properties of 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 78998795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).