5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile

C19H21N5 — CID 101148770

IUPAC5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile
SMILESC=CCNc1nc(C)c(/C=N/c2c(C)cc(C)cc2C)nc1C#N
InChIInChI=1S/C19H21N5/c1-6-7-21-19-16(10-20)24-17(15(5)23-19)11-22-18-13(3)8-12(2)9-14(18)4/h6,8-9,11H,1,7H2,2-5H3,(H,21,23)/b22-11+
InChIKeyIRWVLVDTCBPMMI-SSDVNMTOSA-N
MW319.41 g/mol
LogP3.93
Rot. Bonds5

About 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile

5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile (PubChem CID 101148770) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile
PubChem CID101148770
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile
SMILESC=CCNc1nc(C)c(/C=N/c2c(C)cc(C)cc2C)nc1C#N
InChIInChI=1S/C19H21N5/c1-6-7-21-19-16(10-20)24-17(15(5)23-19)11-22-18-13(3)8-12(2)9-14(18)4/h6,8-9,11H,1,7H2,2-5H3,(H,21,23)/b22-11+
InChIKeyIRWVLVDTCBPMMI-SSDVNMTOSA-N
XLogP3.93
TPSA73.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-prop-2-enylquinoxalin-2-amine
CID 60734557
3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile
CID 134914335
5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile
CID 10753434
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline
CID 122399400
[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methylidenecyanamide
CID 20701846
N,N'-bis(2,4,6-trimethylphenyl)methanimidamide
CID 3355627
1-[4-chloro-6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)methanimine;iron(3+);trichloride
CID 70012820
2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol
CID 101476751
3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939783
4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2059129
3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133283692

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile?
The IUPAC name of 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile (CID 101148770) is 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile is C=CCNc1nc(C)c(/C=N/c2c(C)cc(C)cc2C)nc1C#N.
What is the InChIKey of 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile?
The InChIKey is IRWVLVDTCBPMMI-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H21N5/c1-6-7-21-19-16(10-20)24-17(15(5)23-19)11-22-18-13(3)8-12(2)9-14(18)4/h6,8-9,11H,1,7H2,2-5H3,(H,21,23)/b22-11+.
What are the key properties of 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile?
5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(prop-2-enylamino)-6-[(2,4,6-trimethylphenyl)iminomethyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 101148770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).