N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide

C17H16N8O — CID 139222005

IUPACN-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide
SMILESCOc1cccc(-c2cc(C)c(-n3ncc(C#N)c3/N=C\NN)nn2)c1
InChIInChI=1S/C17H16N8O/c1-11-6-15(12-4-3-5-14(7-12)26-2)23-24-16(11)25-17(20-10-21-19)13(8-18)9-22-25/h3-7,9-10H,19H2,1-2H3,(H,20,21)
InChIKeyGWWZRIPDUBFTIM-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.64
Rot. Bonds5

About N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide

N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide (PubChem CID 139222005) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide.

Molecular Properties

Compound NameN-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide
PubChem CID139222005
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide
SMILESCOc1cccc(-c2cc(C)c(-n3ncc(C#N)c3/N=C\NN)nn2)c1
InChIInChI=1S/C17H16N8O/c1-11-6-15(12-4-3-5-14(7-12)26-2)23-24-16(11)25-17(20-10-21-19)13(8-18)9-22-25/h3-7,9-10H,19H2,1-2H3,(H,20,21)
InChIKeyGWWZRIPDUBFTIM-UHFFFAOYSA-N
XLogP1.64
TPSA127.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile
CID 139221998
N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 139222007
2-(3-methoxyphenyl)-3-methylbenzonitrile
CID 172915337
2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile
CID 171919375
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 82114912
5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
CID 82192593
6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 82123088
3-methoxy-6-(3-methoxyphenyl)pyridazin-4-amine
CID 117127015
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-(3-methoxyphenyl)-4-methylpyrimidine-5-carbaldehyde
CID 82288198
4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile
CID 172914645

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide?
The IUPAC name of N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide (CID 139222005) is N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide.
What is the SMILES notation for N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide?
The canonical SMILES for N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide is COc1cccc(-c2cc(C)c(-n3ncc(C#N)c3/N=C\NN)nn2)c1.
What is the InChIKey of N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide?
The InChIKey is GWWZRIPDUBFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-11-6-15(12-4-3-5-14(7-12)26-2)23-24-16(11)25-17(20-10-21-19)13(8-18)9-22-25/h3-7,9-10H,19H2,1-2H3,(H,20,21).
What are the key properties of N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide?
N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide has a molecular weight of 348.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide is sourced from PubChem (CID 139222005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).