3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline

C18H19N5O — CID 73058272

IUPAC3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline
SMILESCc1ccc(-c2cnnc(N3CCC(c4cccc(N)c4)C3)n2)o1
InChIInChI=1S/C18H19N5O/c1-12-5-6-17(24-12)16-10-20-22-18(21-16)23-8-7-14(11-23)13-3-2-4-15(19)9-13/h2-6,9-10,14H,7-8,11,19H2,1H3
InChIKeyGVPBMKXKSCSYMX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.02
Rot. Bonds3

About 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline

3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline (PubChem CID 73058272) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline.

Molecular Properties

Compound Name3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline
PubChem CID73058272
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline
SMILESCc1ccc(-c2cnnc(N3CCC(c4cccc(N)c4)C3)n2)o1
InChIInChI=1S/C18H19N5O/c1-12-5-6-17(24-12)16-10-20-22-18(21-16)23-8-7-14(11-23)13-3-2-4-15(19)9-13/h2-6,9-10,14H,7-8,11,19H2,1H3
InChIKeyGVPBMKXKSCSYMX-UHFFFAOYSA-N
XLogP3.02
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-methylfuran-2-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 9550690
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide
CID 11739527
N-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-acetamide
CID 44216145
2-Furan-2-yl-6-(3-isopropyl-phenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403137
6-(3-Amino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403138
6-(3-Dimethylamino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403148
Mnk1/2-IN-5
CID 71468412
6-(4-Dimethylamino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403151
US9096589, 5,8-Dimethyl-2-{2-[1-methyl-4-(5-methyl-furan-2-yl)-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 53250651
N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 58857589
as-Triazine, 5-(benzofuran-2-yl)-3-methoxy-
CID 3053065
2-(furan-2-yl)-N-[4-(propan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 4130595

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline?
The IUPAC name of 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline (CID 73058272) is 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline.
What is the SMILES notation for 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline?
The canonical SMILES for 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline is Cc1ccc(-c2cnnc(N3CCC(c4cccc(N)c4)C3)n2)o1.
What is the InChIKey of 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline?
The InChIKey is GVPBMKXKSCSYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-5-6-17(24-12)16-10-20-22-18(21-16)23-8-7-14(11-23)13-3-2-4-15(19)9-13/h2-6,9-10,14H,7-8,11,19H2,1H3.
What are the key properties of 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline?
3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline has a molecular weight of 321.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]aniline is sourced from PubChem (CID 73058272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).