butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine

C20H25N7 — CID 167502711

IUPACbutane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine
SMILESCCCC.CN(C)c1ccc(-c2ccc(-c3cn[nH]c3)c3[nH]ncc23)nn1
InChIInChI=1S/C16H15N7.C4H10/c1-23(2)15-6-5-14(20-21-15)12-4-3-11(10-7-17-18-8-10)16-13(12)9-19-22-16;1-3-4-2/h3-9H,1-2H3,(H,17,18)(H,19,22);3-4H2,1-2H3
InChIKeyWHIUBRZQYJQVDJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.28
Rot. Bonds4

About butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine

butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine (PubChem CID 167502711) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine.

Molecular Properties

Compound Namebutane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine
PubChem CID167502711
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Namebutane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine
SMILESCCCC.CN(C)c1ccc(-c2ccc(-c3cn[nH]c3)c3[nH]ncc23)nn1
InChIInChI=1S/C16H15N7.C4H10/c1-23(2)15-6-5-14(20-21-15)12-4-3-11(10-7-17-18-8-10)16-13(12)9-19-22-16;1-3-4-2/h3-9H,1-2H3,(H,17,18)(H,19,22);3-4H2,1-2H3
InChIKeyWHIUBRZQYJQVDJ-UHFFFAOYSA-N
XLogP4.28
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine?
The IUPAC name of butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine (CID 167502711) is butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine.
What is the SMILES notation for butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine?
The canonical SMILES for butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine is CCCC.CN(C)c1ccc(-c2ccc(-c3cn[nH]c3)c3[nH]ncc23)nn1.
What is the InChIKey of butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine?
The InChIKey is WHIUBRZQYJQVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7.C4H10/c1-23(2)15-6-5-14(20-21-15)12-4-3-11(10-7-17-18-8-10)16-13(12)9-19-22-16;1-3-4-2/h3-9H,1-2H3,(H,17,18)(H,19,22);3-4H2,1-2H3.
What are the key properties of butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine?
butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine has a molecular weight of 363.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine is sourced from PubChem (CID 167502711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).