5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C15H17BrN8 — CID 155595069

IUPAC5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCNCC3)c(Br)nn2)cn1
InChIInChI=1S/C15H17BrN8/c16-15-12(20-7-10-1-3-18-4-2-10)5-13(23-24-15)22-14-9-19-11(6-17)8-21-14/h5,8-10,18H,1-4,7H2,(H2,20,21,22,23)
InChIKeyONHCJOYWVHDXES-UHFFFAOYSA-N
MW389.26 g/mol
LogP2.06
Rot. Bonds5

About 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155595069) has the molecular formula C15H17BrN8 and a molecular weight of 389.26 g/mol. Its IUPAC name is 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155595069
Molecular FormulaC15H17BrN8
Molecular Weight389.26 g/mol
Exact Mass388.08
IUPAC Name5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCNCC3)c(Br)nn2)cn1
InChIInChI=1S/C15H17BrN8/c16-15-12(20-7-10-1-3-18-4-2-10)5-13(23-24-15)22-14-9-19-11(6-17)8-21-14/h5,8-10,18H,1-4,7H2,(H2,20,21,22,23)
InChIKeyONHCJOYWVHDXES-UHFFFAOYSA-N
XLogP2.06
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[6-(3-hydroxy-3-methylbut-1-ynyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594895
5-[[5-(piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 175303051
5-[[5-(piperidin-4-ylmethylamino)-6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164599291
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
CID 42610172
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613386
5-[[4-(piperidin-4-ylmethylamino)-5-(3-sulfanylphenyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 70669554
ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784500
6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 59613342
6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide
CID 164598967
ethane;5-[[5-(4-methylsulfonylphenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784516
5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 42610357

Frequently Asked Questions

What is the IUPAC name of 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155595069) is 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(Br)nn2)cn1.
What is the InChIKey of 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is ONHCJOYWVHDXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN8/c16-15-12(20-7-10-1-3-18-4-2-10)5-13(23-24-15)22-14-9-19-11(6-17)8-21-14/h5,8-10,18H,1-4,7H2,(H2,20,21,22,23).
What are the key properties of 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 389.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155595069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).