4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine

C16H19FN6 — CID 90158905

IUPAC4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine
SMILESC#CCNc1ncnc(NN(CCC)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN6/c1-3-9-18-15-19-12-20-16(21-15)22-23(10-4-2)11-13-5-7-14(17)8-6-13/h1,5-8,12H,4,9-11H2,2H3,(H2,18,19,20,21,22)
InChIKeyZXFTYXHHBUKULK-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.29
Rot. Bonds8

About 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine

4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine (PubChem CID 90158905) has the molecular formula C16H19FN6 and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine
PubChem CID90158905
Molecular FormulaC16H19FN6
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC Name4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine
SMILESC#CCNc1ncnc(NN(CCC)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN6/c1-3-9-18-15-19-12-20-16(21-15)22-23(10-4-2)11-13-5-7-14(17)8-6-13/h1,5-8,12H,4,9-11H2,2H3,(H2,18,19,20,21,22)
InChIKeyZXFTYXHHBUKULK-UHFFFAOYSA-N
XLogP2.29
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine
CID 90159585
2-N,4-N-bis[(4-fluorophenyl)methyl]-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90158889
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80777490
2-N-[(4-fluorophenyl)methyl]-2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 90175607
6-N-[2-[ethyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
CID 70479463
4-N-butyl-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112882820
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 87520664
N-[(4-bromophenyl)methyl]-N-prop-2-ynylpropan-1-amine
CID 155545695

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine (CID 90158905) is 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine is C#CCNc1ncnc(NN(CCC)Cc2ccc(F)cc2)n1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine?
The InChIKey is ZXFTYXHHBUKULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6/c1-3-9-18-15-19-12-20-16(21-15)22-23(10-4-2)11-13-5-7-14(17)8-6-13/h1,5-8,12H,4,9-11H2,2H3,(H2,18,19,20,21,22).
What are the key properties of 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine?
4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine has a molecular weight of 314.37 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 90158905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).