[4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

C13H15N7O — CID 80901290

IUPAC[4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H15N7O/c1-8(2)21-13-17-11(19-14)16-12(18-13)20-7-15-9-5-3-4-6-10(9)20/h3-8H,14H2,1-2H3,(H,16,17,18,19)
InChIKeyXRPCJKFXMKYCLK-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.28
Rot. Bonds4

About [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

[4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80901290) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80901290
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name[4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H15N7O/c1-8(2)21-13-17-11(19-14)16-12(18-13)20-7-15-9-5-3-4-6-10(9)20/h3-8H,14H2,1-2H3,(H,16,17,18,19)
InChIKeyXRPCJKFXMKYCLK-UHFFFAOYSA-N
XLogP1.28
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-1-yl)acetohydrazide
CID 1540408
1-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
CID 10220948
1-Pyridin-2-yl-1,2,3,4-tetrahydro-[1,2,4]triazino[4,5-a]benzimidazole
CID 60165666
1-(2-Ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole
CID 3071004
1-[2-(Ethoxy)ethyl]-2-(1-piperazinyl)benzimidazole
CID 3071008
1-[2-(Ethoxy)ethyl]-2-(4-ethyl-1-piperazinyl)benzimidazole
CID 3071010
1-[2-(n-Propoxy)ethyl]-2-(4-methyl-1-piperazinyl)benzimidazole
CID 3071014
1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
CID 122463266
1-[2-(dimethylamino)ethyl]-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
CID 122463279
1-methyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine
CID 131997869
[1,3,5]Triazino[1,2-a]benzimidazol-4-amine
CID 12666261
1-Morpholin-4-ylmethyl-1H-benzoimidazole
CID 681888

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (CID 80901290) is [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is CC(C)Oc1nc(NN)nc(-n2cnc3ccccc32)n1.
What is the InChIKey of [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is XRPCJKFXMKYCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-8(2)21-13-17-11(19-14)16-12(18-13)20-7-15-9-5-3-4-6-10(9)20/h3-8H,14H2,1-2H3,(H,16,17,18,19).
What are the key properties of [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
[4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 285.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80901290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).