5-iminocyclohexa-2,6-diene-1,2,4-triamine

C6H10N4 — CID 173075302

IUPAC5-iminocyclohexa-2,6-diene-1,2,4-triamine
SMILES[H]/N=C1\C=C(N)C(N)=CC1N
InChIInChI=1S/C6H10N4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,9H,7-8,10H2/b9-5+
InChIKeyKWZKZYADIULOMF-WEVVVXLNSA-N
MW138.17 g/mol
LogP-0.97
Rot. Bonds

About 5-iminocyclohexa-2,6-diene-1,2,4-triamine

5-iminocyclohexa-2,6-diene-1,2,4-triamine (PubChem CID 173075302) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-iminocyclohexa-2,6-diene-1,2,4-triamine.

Molecular Properties

Compound Name5-iminocyclohexa-2,6-diene-1,2,4-triamine
PubChem CID173075302
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-iminocyclohexa-2,6-diene-1,2,4-triamine
SMILES[H]/N=C1\C=C(N)C(N)=CC1N
InChIInChI=1S/C6H10N4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,9H,7-8,10H2/b9-5+
InChIKeyKWZKZYADIULOMF-WEVVVXLNSA-N
XLogP-0.97
TPSA101.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iminocyclohexa-2,6-diene-1,2,4-triamine?
The IUPAC name of 5-iminocyclohexa-2,6-diene-1,2,4-triamine (CID 173075302) is 5-iminocyclohexa-2,6-diene-1,2,4-triamine.
What is the SMILES notation for 5-iminocyclohexa-2,6-diene-1,2,4-triamine?
The canonical SMILES for 5-iminocyclohexa-2,6-diene-1,2,4-triamine is [H]/N=C1\C=C(N)C(N)=CC1N.
What is the InChIKey of 5-iminocyclohexa-2,6-diene-1,2,4-triamine?
The InChIKey is KWZKZYADIULOMF-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H10N4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,9H,7-8,10H2/b9-5+.
What are the key properties of 5-iminocyclohexa-2,6-diene-1,2,4-triamine?
5-iminocyclohexa-2,6-diene-1,2,4-triamine has a molecular weight of 138.17 g/mol, XLogP of -0.97, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminocyclohexa-2,6-diene-1,2,4-triamine is sourced from PubChem (CID 173075302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).