N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H17FN6O — CID 80900644

IUPACN-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1c(F)cccc1Nc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C13H17FN6O/c1-7(2)21-13-18-11(17-12(19-13)20-15)16-10-6-4-5-9(14)8(10)3/h4-7H,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYZXKFYHCIOOOMZ-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.14
Rot. Bonds5

About N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80900644) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80900644
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC NameN-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1c(F)cccc1Nc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C13H17FN6O/c1-7(2)21-13-18-11(17-12(19-13)20-15)16-10-6-4-5-9(14)8(10)3/h4-7H,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYZXKFYHCIOOOMZ-UHFFFAOYSA-N
XLogP2.14
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762248
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114254280
4-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80902613
4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503015
2-N-(2-fluoro-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80729258
4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80898763
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133
[4-(2,2-difluoroethoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 82010438
[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80925336
2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80763052

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80900644) is N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1c(F)cccc1Nc1nc(NN)nc(OC(C)C)n1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is YZXKFYHCIOOOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-7(2)21-13-18-11(17-12(19-13)20-15)16-10-6-4-5-9(14)8(10)3/h4-7H,15H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 292.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80900644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).