[4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

C13H15IN6O — CID 80910841

IUPAC[4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccc(I)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C13H15IN6O/c14-9-3-5-10(6-4-9)21-13-17-11(19-15)16-12(18-13)20-7-1-2-8-20/h3-6H,1-2,7-8,15H2,(H,16,17,18,19)
InChIKeyJXHRPAYUOGFDOA-UHFFFAOYSA-N
MW398.21 g/mol
LogP2.15
Rot. Bonds4

About [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80910841) has the molecular formula C13H15IN6O and a molecular weight of 398.21 g/mol. Its IUPAC name is [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80910841
Molecular FormulaC13H15IN6O
Molecular Weight398.21 g/mol
Exact Mass398.04
IUPAC Name[4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccc(I)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C13H15IN6O/c14-9-3-5-10(6-4-9)21-13-17-11(19-15)16-12(18-13)20-7-1-2-8-20/h3-6H,1-2,7-8,15H2,(H,16,17,18,19)
InChIKeyJXHRPAYUOGFDOA-UHFFFAOYSA-N
XLogP2.15
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80910078
4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916652
(4-cyclohexyloxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80905831
2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868780
4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-iodophenyl)-1,3,5-triazin-2-amine
CID 3482932
[4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930831
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80865550
[4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80911618
[4-(3,3-dimethylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923939
4-(4-iodophenoxy)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80875114
[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 103491759
N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80911509

Frequently Asked Questions

What is the IUPAC name of [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80910841) is [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is NNc1nc(Oc2ccc(I)cc2)nc(N2CCCC2)n1.
What is the InChIKey of [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is JXHRPAYUOGFDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN6O/c14-9-3-5-10(6-4-9)21-13-17-11(19-15)16-12(18-13)20-7-1-2-8-20/h3-6H,1-2,7-8,15H2,(H,16,17,18,19).
What are the key properties of [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 398.21 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80910841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).