N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide

C15H15N5 — CID 23990833

IUPACN'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide
SMILESCc1nc(C#N)c(/N=C/N(C)C)nc1-c1ccccc1
InChIInChI=1S/C15H15N5/c1-11-14(12-7-5-4-6-8-12)19-15(13(9-16)18-11)17-10-20(2)3/h4-8,10H,1-3H3/b17-10+
InChIKeyZLMJOGZQZAJKBV-LICLKQGHSA-N
MW265.32 g/mol
LogP2.55
Rot. Bonds3

About N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide

N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 23990833) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID23990833
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide
SMILESCc1nc(C#N)c(/N=C/N(C)C)nc1-c1ccccc1
InChIInChI=1S/C15H15N5/c1-11-14(12-7-5-4-6-8-12)19-15(13(9-16)18-11)17-10-20(2)3/h4-8,10H,1-3H3/b17-10+
InChIKeyZLMJOGZQZAJKBV-LICLKQGHSA-N
XLogP2.55
TPSA65.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 171366783
N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide
CID 3758823
3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
CID 20567061
N'-(3-cyano-5-fluoropyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 22662860
N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 22662771
N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
CID 156505096
N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 12736670
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 143498002
N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide
CID 117061761
N'-(3-hydroxy-5-phenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 141411326
4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide (CID 23990833) is N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide is Cc1nc(C#N)c(/N=C/N(C)C)nc1-c1ccccc1.
What is the InChIKey of N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is ZLMJOGZQZAJKBV-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15N5/c1-11-14(12-7-5-4-6-8-12)19-15(13(9-16)18-11)17-10-20(2)3/h4-8,10H,1-3H3/b17-10+.
What are the key properties of N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide?
N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 265.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 23990833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).