3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile

C19H17N7O2 — CID 112957846

IUPAC3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2cnnc(N3CCN(C(=O)c4ccco4)CC3)n2)c1
InChIInChI=1S/C19H17N7O2/c20-12-14-3-1-4-15(11-14)22-17-13-21-24-19(23-17)26-8-6-25(7-9-26)18(27)16-5-2-10-28-16/h1-5,10-11,13H,6-9H2,(H,22,23,24)
InChIKeyODOGWYKBKFGRHK-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.04
Rot. Bonds4

About 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile

3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile (PubChem CID 112957846) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile
PubChem CID112957846
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2cnnc(N3CCN(C(=O)c4ccco4)CC3)n2)c1
InChIInChI=1S/C19H17N7O2/c20-12-14-3-1-4-15(11-14)22-17-13-21-24-19(23-17)26-8-6-25(7-9-26)18(27)16-5-2-10-28-16/h1-5,10-11,13H,6-9H2,(H,22,23,24)
InChIKeyODOGWYKBKFGRHK-UHFFFAOYSA-N
XLogP2.04
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile with MolForge

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Related Compounds

[4-[5-(4-fluoroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957824
[4-[5-(2-chloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957825
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
CID 112957796
[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112875500
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923817
3-[[6-(4-acetylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109117337
4-(3-cyanoanilino)-6-[1-(furan-2-carbonyl)piperidin-4-yl]sulfonyl-8-methylquinoline-3-carboxamide
CID 11387185
[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109286543
3-[[6-(4-benzylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109123091
furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898704

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile?
The IUPAC name of 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile (CID 112957846) is 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile.
What is the SMILES notation for 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile?
The canonical SMILES for 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile is N#Cc1cccc(Nc2cnnc(N3CCN(C(=O)c4ccco4)CC3)n2)c1.
What is the InChIKey of 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile?
The InChIKey is ODOGWYKBKFGRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c20-12-14-3-1-4-15(11-14)22-17-13-21-24-19(23-17)26-8-6-25(7-9-26)18(27)16-5-2-10-28-16/h1-5,10-11,13H,6-9H2,(H,22,23,24).
What are the key properties of 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile?
3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile has a molecular weight of 375.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile is sourced from PubChem (CID 112957846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).