6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile

C14H11N7 — CID 156845042

IUPAC6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile
SMILESCNc1ccc(-c2ccc(-c3cn[nH]c3)c(C#N)n2)nn1
InChIInChI=1S/C14H11N7/c1-16-14-5-4-12(20-21-14)11-3-2-10(13(6-15)19-11)9-7-17-18-8-9/h2-5,7-8H,1H3,(H,16,21)(H,17,18)
InChIKeyCYIXKXMHEICPTE-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.84
Rot. Bonds3

About 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile

6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile (PubChem CID 156845042) has the molecular formula C14H11N7 and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile
PubChem CID156845042
Molecular FormulaC14H11N7
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile
SMILESCNc1ccc(-c2ccc(-c3cn[nH]c3)c(C#N)n2)nn1
InChIInChI=1S/C14H11N7/c1-16-14-5-4-12(20-21-14)11-3-2-10(13(6-15)19-11)9-7-17-18-8-9/h2-5,7-8H,1H3,(H,16,21)(H,17,18)
InChIKeyCYIXKXMHEICPTE-UHFFFAOYSA-N
XLogP1.84
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;6-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methylpyridazin-3-amine
CID 156844905
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-amine
CID 156845512
N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine
CID 89308329
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-1,2,4-triazin-3-amine
CID 167502395
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
2,3-bis(1H-pyrazol-4-yl)benzonitrile
CID 141438727
N-[3-(methylamino)-4-(1H-pyrazol-4-yl)-2-pyridinyl]formamide
CID 155730490
(1S,5R)-N-[6-[6-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 170322799
cycloheptane;ethane;6-[4-(2-methoxy-4-pyridinyl)-1H-indazol-7-yl]-N-methylpyridazin-3-amine
CID 167502466
2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide
CID 134387946
6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
(4R,6S,9R)-N,4-dimethyl-N-[6-[5-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]-1-azatricyclo[4.3.0.02,9]nonan-4-amine
CID 167502607

Frequently Asked Questions

What is the IUPAC name of 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile (CID 156845042) is 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile is CNc1ccc(-c2ccc(-c3cn[nH]c3)c(C#N)n2)nn1.
What is the InChIKey of 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile?
The InChIKey is CYIXKXMHEICPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7/c1-16-14-5-4-12(20-21-14)11-3-2-10(13(6-15)19-11)9-7-17-18-8-9/h2-5,7-8H,1H3,(H,16,21)(H,17,18).
What are the key properties of 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile?
6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile has a molecular weight of 277.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(methylamino)pyridazin-3-yl]-3-(1H-pyrazol-4-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 156845042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).