1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile

C12H15N5O — CID 115614626

IUPAC1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile
SMILESCc1noc(CNCc2cc(C#N)n(C)c2C)n1
InChIInChI=1S/C12H15N5O/c1-8-10(4-11(5-13)17(8)3)6-14-7-12-15-9(2)16-18-12/h4,14H,6-7H2,1-3H3
InChIKeyHDNZDZBRBKKFJX-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.19
Rot. Bonds4

About 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile

1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile (PubChem CID 115614626) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile
PubChem CID115614626
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile
SMILESCc1noc(CNCc2cc(C#N)n(C)c2C)n1
InChIInChI=1S/C12H15N5O/c1-8-10(4-11(5-13)17(8)3)6-14-7-12-15-9(2)16-18-12/h4,14H,6-7H2,1-3H3
InChIKeyHDNZDZBRBKKFJX-UHFFFAOYSA-N
XLogP1.19
TPSA79.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-4-[[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylamino]methyl]pyrrole-2-carbonitrile
CID 131929749
4-[(but-2-ynylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115866355
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893857
1,5-dimethyl-4-[[(1-methylcyclobutyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103735836
1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 115582683
4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581124
4-[(6-hydroxyhexylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 103924161
1,5-dimethyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrrole-2-carbonitrile
CID 115581332
4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 103992003
1,5-dimethyl-4-[[2-(oxolan-2-yl)ethylamino]methyl]pyrrole-2-carbonitrile
CID 113222755
4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572535
1,5-dimethyl-4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]pyrrole-2-carbonitrile
CID 115584550

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile (CID 115614626) is 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile is Cc1noc(CNCc2cc(C#N)n(C)c2C)n1.
What is the InChIKey of 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile?
The InChIKey is HDNZDZBRBKKFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-10(4-11(5-13)17(8)3)6-14-7-12-15-9(2)16-18-12/h4,14H,6-7H2,1-3H3.
What are the key properties of 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile?
1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile has a molecular weight of 245.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 115614626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).