3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine

C10H16N6 — CID 139313856

IUPAC3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\N1CCCCC1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C10H16N6/c11-8-9(12)16(7-4-14-8)10(13)15-5-2-1-3-6-15/h4,7,12-13H,1-3,5-6H2,(H2,11,14)/b12-9+,13-10+
InChIKeyAXTLQTBIXTYRRL-JOWSBRCASA-N
MW220.28 g/mol
LogP0.21
Rot. Bonds

About 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine

3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine (PubChem CID 139313856) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine
PubChem CID139313856
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\N1CCCCC1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C10H16N6/c11-8-9(12)16(7-4-14-8)10(13)15-5-2-1-3-6-15/h4,7,12-13H,1-3,5-6H2,(H2,11,14)/b12-9+,13-10+
InChIKeyAXTLQTBIXTYRRL-JOWSBRCASA-N
XLogP0.21
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-(5,5-difluoro-2-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
CID 139313858
3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine
CID 134299753
1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine
CID 12999121
5-(piperidine-1-carboximidoyl)-1H-imidazol-4-amine
CID 135745792
4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine
CID 134299761
3-chloro-1-(oxane-3-carboximidoyl)pyrazin-2-imine
CID 139313889
3-chloro-1-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-imine
CID 139314181
(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine
CID 65198115
(4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine
CID 162358247
1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine
CID 134299817
3-(azocan-1-yl)pyridin-2-amine
CID 104539725
3-(4-methylphenyl)-5-(piperidine-1-carboximidoyl)imidazol-4-amine
CID 23731008

Frequently Asked Questions

What is the IUPAC name of 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine?
The IUPAC name of 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine (CID 139313856) is 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine.
What is the SMILES notation for 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine?
The canonical SMILES for 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine is [H]/N=C(\N1CCCCC1)n1ccnc(N)/c1=N\[H].
What is the InChIKey of 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine?
The InChIKey is AXTLQTBIXTYRRL-JOWSBRCASA-N. The full InChI is InChI=1S/C10H16N6/c11-8-9(12)16(7-4-14-8)10(13)15-5-2-1-3-6-15/h4,7,12-13H,1-3,5-6H2,(H2,11,14)/b12-9+,13-10+.
What are the key properties of 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine?
3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine has a molecular weight of 220.28 g/mol, XLogP of 0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4-(piperidine-1-carboximidoyl)pyrazin-2-amine is sourced from PubChem (CID 139313856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).