1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C9H14N6O — CID 13206843

IUPAC1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILES[H]/N=c1\nc(N(CC=C)CC=C)nc(N)n1O
InChIInChI=1S/C9H14N6O/c1-3-5-14(6-4-2)9-12-7(10)15(16)8(11)13-9/h3-4,16H,1-2,5-6H2,(H3,10,11,12,13)
InChIKeyHXIWFHVIYHAHTR-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.24
Rot. Bonds5

About 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 13206843) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID13206843
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILES[H]/N=c1\nc(N(CC=C)CC=C)nc(N)n1O
InChIInChI=1S/C9H14N6O/c1-3-5-14(6-4-2)9-12-7(10)15(16)8(11)13-9/h3-4,16H,1-2,5-6H2,(H3,10,11,12,13)
InChIKeyHXIWFHVIYHAHTR-UHFFFAOYSA-N
XLogP-0.24
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 13206843) is 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is [H]/N=c1\nc(N(CC=C)CC=C)nc(N)n1O.
What is the InChIKey of 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HXIWFHVIYHAHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-3-5-14(6-4-2)9-12-7(10)15(16)8(11)13-9/h3-4,16H,1-2,5-6H2,(H3,10,11,12,13).
What are the key properties of 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 222.25 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-imino-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13206843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).