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

C19H17N5O — CID 73058271

IUPAC3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile
SMILESCc1ccc(-c2cnnc(N3CCC(c4cccc(C#N)c4)C3)n2)o1
InChIInChI=1S/C19H17N5O/c1-13-5-6-18(25-13)17-11-21-23-19(22-17)24-8-7-16(12-24)15-4-2-3-14(9-15)10-20/h2-6,9,11,16H,7-8,12H2,1H3
InChIKeyJNWRTVZWGHBDDI-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.31
Rot. Bonds3

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

3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile (PubChem CID 73058271) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile
PubChem CID73058271
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile
SMILESCc1ccc(-c2cnnc(N3CCC(c4cccc(C#N)c4)C3)n2)o1
InChIInChI=1S/C19H17N5O/c1-13-5-6-18(25-13)17-11-21-23-19(22-17)24-8-7-16(12-24)15-4-2-3-14(9-15)10-20/h2-6,9,11,16H,7-8,12H2,1H3
InChIKeyJNWRTVZWGHBDDI-UHFFFAOYSA-N
XLogP3.31
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-benzonitrile
CID 11243564
2-Furan-2-yl-6-(3-isopropyl-phenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403137
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
as-Triazine, 5-(benzofuran-2-yl)-3-methoxy-
CID 3053065
5-(5-Methylfuran-2-yl)-1,2,4-triazin-3-amine
CID 43134504
5-(5-methyl-2-furyl)-N-{[1-(4-morpholinyl)cyclopentyl]methyl}-1,2,4-triazin-3-amine
CID 29085524
5-(5-methyl-2-furyl)-N-(tetrahydro-2H-pyran-4-ylmethyl)-1,2,4-triazin-3-amine
CID 42150841
5-(1-benzofuran-2-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
CID 42191786
3-Methyl-4-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1,2,5-oxadiazole
CID 45191834
3-[3-(3-Chlorophenyl)-1-pyrrolidinyl]-5-(5-methyl-2-furyl)-1,2,4-triazine
CID 56707911
3-[1-[5-(5-Methyl-2-furyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol
CID 73053897
4-[1-[5-(5-Methyl-2-furyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzene-1,2-diol
CID 73053898

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]benzonitrile?
The IUPAC name of 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile (CID 73058271) is 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile.
What is the SMILES notation for 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile?
The canonical SMILES for 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile is Cc1ccc(-c2cnnc(N3CCC(c4cccc(C#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]benzonitrile?
The InChIKey is JNWRTVZWGHBDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-5-6-18(25-13)17-11-21-23-19(22-17)24-8-7-16(12-24)15-4-2-3-14(9-15)10-20/h2-6,9,11,16H,7-8,12H2,1H3.
What are the key properties of 3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile?
3-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]benzonitrile has a molecular weight of 331.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 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]benzonitrile is sourced from PubChem (CID 73058271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).