3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine

C13H19N5 — CID 142292867

IUPAC3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(/C1CCCC2(CC2)C1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C13H19N5/c14-10-12(16)18(7-6-17-10)11(15)9-2-1-3-13(8-9)4-5-13/h6-7,9,15-16H,1-5,8H2,(H2,14,17)/b15-11-,16-12+
InChIKeyYQOHVSIFTFTIOQ-UKVBVZPVSA-N
MW245.33 g/mol
LogP1.74
Rot. Bonds1

About 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine

3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine (PubChem CID 142292867) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine
PubChem CID142292867
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(/C1CCCC2(CC2)C1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C13H19N5/c14-10-12(16)18(7-6-17-10)11(15)9-2-1-3-13(8-9)4-5-13/h6-7,9,15-16H,1-5,8H2,(H2,14,17)/b15-11-,16-12+
InChIKeyYQOHVSIFTFTIOQ-UKVBVZPVSA-N
XLogP1.74
TPSA91.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine?
The IUPAC name of 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine (CID 142292867) is 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine.
What is the SMILES notation for 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine?
The canonical SMILES for 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine is [H]/N=C(/C1CCCC2(CC2)C1)n1ccnc(N)/c1=N\[H].
What is the InChIKey of 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine?
The InChIKey is YQOHVSIFTFTIOQ-UKVBVZPVSA-N. The full InChI is InChI=1S/C13H19N5/c14-10-12(16)18(7-6-17-10)11(15)9-2-1-3-13(8-9)4-5-13/h6-7,9,15-16H,1-5,8H2,(H2,14,17)/b15-11-,16-12+.
What are the key properties of 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine?
3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.74, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4-(spiro[2.5]octane-7-carboximidoyl)pyrazin-2-amine is sourced from PubChem (CID 142292867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).