N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide

C15H21N5 — CID 170855981

IUPACN'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide
SMILESCC12CCC(C/C1=N/N=C(\N)c1cnccn1)C2(C)C
InChIInChI=1S/C15H21N5/c1-14(2)10-4-5-15(14,3)12(8-10)19-20-13(16)11-9-17-6-7-18-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,20)/b19-12-
InChIKeyPRAKGCKFBRXXEO-UNOMPAQXSA-N
MW271.37 g/mol
LogP2.38
Rot. Bonds2

About N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide

N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide (PubChem CID 170855981) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide
PubChem CID170855981
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide
SMILESCC12CCC(C/C1=N/N=C(\N)c1cnccn1)C2(C)C
InChIInChI=1S/C15H21N5/c1-14(2)10-4-5-15(14,3)12(8-10)19-20-13(16)11-9-17-6-7-18-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,20)/b19-12-
InChIKeyPRAKGCKFBRXXEO-UNOMPAQXSA-N
XLogP2.38
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide?
The IUPAC name of N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide (CID 170855981) is N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide is CC12CCC(C/C1=N/N=C(\N)c1cnccn1)C2(C)C.
What is the InChIKey of N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide?
The InChIKey is PRAKGCKFBRXXEO-UNOMPAQXSA-N. The full InChI is InChI=1S/C15H21N5/c1-14(2)10-4-5-15(14,3)12(8-10)19-20-13(16)11-9-17-6-7-18-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,20)/b19-12-.
What are the key properties of N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide?
N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide has a molecular weight of 271.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 170855981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).