[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine

C10H13F3N4 — CID 6620913

IUPAC[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine
SMILESCC1CCc2nc(NN)nc(C(F)(F)F)c2C1
InChIInChI=1S/C10H13F3N4/c1-5-2-3-7-6(4-5)8(10(11,12)13)16-9(15-7)17-14/h5H,2-4,14H2,1H3,(H,15,16,17)
InChIKeyOYAKIVPMEGGBCM-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.91
Rot. Bonds1

About [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine

[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine (PubChem CID 6620913) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine
PubChem CID6620913
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine
SMILESCC1CCc2nc(NN)nc(C(F)(F)F)c2C1
InChIInChI=1S/C10H13F3N4/c1-5-2-3-7-6(4-5)8(10(11,12)13)16-9(15-7)17-14/h5H,2-4,14H2,1H3,(H,15,16,17)
InChIKeyOYAKIVPMEGGBCM-UHFFFAOYSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine?
The IUPAC name of [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine (CID 6620913) is [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine.
What is the SMILES notation for [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine?
The canonical SMILES for [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine is CC1CCc2nc(NN)nc(C(F)(F)F)c2C1.
What is the InChIKey of [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine?
The InChIKey is OYAKIVPMEGGBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-5-2-3-7-6(4-5)8(10(11,12)13)16-9(15-7)17-14/h5H,2-4,14H2,1H3,(H,15,16,17).
What are the key properties of [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine?
[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine has a molecular weight of 246.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hydrazine is sourced from PubChem (CID 6620913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).