2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile

C17H14N6O2 — CID 56814916

IUPAC2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile
SMILESCc1occc1C(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H14N6O2/c1-10-12(7-8-25-10)14(24)13(9-18)15-21-16(19)23-17(22-15)20-11-5-3-2-4-6-11/h2-8,13H,1H3,(H3,19,20,21,22,23)
InChIKeyXSPIBKRJEQQGQX-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile

2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile (PubChem CID 56814916) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile
PubChem CID56814916
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile
SMILESCc1occc1C(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H14N6O2/c1-10-12(7-8-25-10)14(24)13(9-18)15-21-16(19)23-17(22-15)20-11-5-3-2-4-6-11/h2-8,13H,1H3,(H3,19,20,21,22,23)
InChIKeyXSPIBKRJEQQGQX-UHFFFAOYSA-N
XLogP2.59
TPSA130.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-cyclopentyl-3-oxobutanenitrile
CID 95158537
(2S)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-[(1R)-cyclohex-3-en-1-yl]-3-oxopropanenitrile
CID 94215476
2-(2-methylfuran-3-carbonyl)propanedinitrile
CID 112732057
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
6-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71934402
(2R)-2-(2-methylfuran-3-carbonyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-3-oxopropanenitrile
CID 98130243
6-[(1S)-1-(4-bromoanilino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25329937
6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51927587
6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 42925988
6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25408804
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methylbenzoate
CID 7778559

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile (CID 56814916) is 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile is Cc1occc1C(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile?
The InChIKey is XSPIBKRJEQQGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-10-12(7-8-25-10)14(24)13(9-18)15-21-16(19)23-17(22-15)20-11-5-3-2-4-6-11/h2-8,13H,1H3,(H3,19,20,21,22,23).
What are the key properties of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile?
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile has a molecular weight of 334.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile is sourced from PubChem (CID 56814916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).