6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide

C20H18N8O — CID 71778535

IUPAC6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H18N8O/c29-20(17-7-8-18(25-23-17)27-10-1-2-11-27)22-15-5-3-4-14(12-15)16-6-9-19-24-21-13-28(19)26-16/h3-9,12-13H,1-2,10-11H2,(H,22,29)
InChIKeyDCCDURPWUINXAP-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.43
Rot. Bonds4

About 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide

6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 71778535) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
PubChem CID71778535
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H18N8O/c29-20(17-7-8-18(25-23-17)27-10-1-2-11-27)22-15-5-3-4-14(12-15)16-6-9-19-24-21-13-28(19)26-16/h3-9,12-13H,1-2,10-11H2,(H,22,29)
InChIKeyDCCDURPWUINXAP-UHFFFAOYSA-N
XLogP2.43
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532185
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532195
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778520
1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
CID 121036280
N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121036246
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
3-cyano-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036202
6-oxo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036292
2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593239

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide (CID 71778535) is 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide is O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is DCCDURPWUINXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c29-20(17-7-8-18(25-23-17)27-10-1-2-11-27)22-15-5-3-4-14(12-15)16-6-9-19-24-21-13-28(19)26-16/h3-9,12-13H,1-2,10-11H2,(H,22,29).
What are the key properties of 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide?
6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71778535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).