3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide

C12H18N6O — CID 154240941

IUPAC3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1ncc(C2CCCCC2)nc1N
InChIInChI=1S/C12H18N6O/c13-10-9(11(19)18-12(14)15)16-6-8(17-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,13,17)(H4,14,15,18,19)
InChIKeyMBPWXWLWGAURGL-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.52
Rot. Bonds2

About 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide

3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide (PubChem CID 154240941) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide
PubChem CID154240941
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1ncc(C2CCCCC2)nc1N
InChIInChI=1S/C12H18N6O/c13-10-9(11(19)18-12(14)15)16-6-8(17-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,13,17)(H4,14,15,18,19)
InChIKeyMBPWXWLWGAURGL-UHFFFAOYSA-N
XLogP0.52
TPSA133.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
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

3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide
CID 160770558
5-cycloheptyl-3-iodopyrazin-2-amine
CID 147044003
4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride
CID 67605015
2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 144855513
5-cyclopentylpyrazine-2-carboxylic acid
CID 135241231
3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride
CID 70616529
3-amino-6-cyclopropyl-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 163435463
3-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 22077764
2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955732
5-cyclopentyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 66779498
2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid
CID 105480565
5-cyclohexylpyrimidine-2,4-diamine
CID 23086329

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide (CID 154240941) is 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide is NC(N)=NC(=O)c1ncc(C2CCCCC2)nc1N.
What is the InChIKey of 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide?
The InChIKey is MBPWXWLWGAURGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c13-10-9(11(19)18-12(14)15)16-6-8(17-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,13,17)(H4,14,15,18,19).
What are the key properties of 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide?
3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide is sourced from PubChem (CID 154240941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).