N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine

C16H16F4N4 — CID 86696525

IUPACN-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine
SMILESNNc1nccc(NC[C@H]2C[C@@H]2c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C16H16F4N4/c17-11-3-1-9(2-4-11)12-7-10(12)8-23-13-5-6-22-15(24-21)14(13)16(18,19)20/h1-6,10,12H,7-8,21H2,(H2,22,23,24)/t10-,12-/m1/s1
InChIKeyIBFAMMDKXNEOFO-ZYHUDNBSSA-N
MW340.32 g/mol
LogP3.74
Rot. Bonds5

About N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine

N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine (PubChem CID 86696525) has the molecular formula C16H16F4N4 and a molecular weight of 340.32 g/mol. Its IUPAC name is N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine
PubChem CID86696525
Molecular FormulaC16H16F4N4
Molecular Weight340.32 g/mol
Exact Mass340.13
IUPAC NameN-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine
SMILESNNc1nccc(NC[C@H]2C[C@@H]2c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C16H16F4N4/c17-11-3-1-9(2-4-11)12-7-10(12)8-23-13-5-6-22-15(24-21)14(13)16(18,19)20/h1-6,10,12H,7-8,21H2,(H2,22,23,24)/t10-,12-/m1/s1
InChIKeyIBFAMMDKXNEOFO-ZYHUDNBSSA-N
XLogP3.74
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.74
H-Bond Donors ≤ 53
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 N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine (CID 86696525) is N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine is NNc1nccc(NC[C@H]2C[C@@H]2c2ccc(F)cc2)c1C(F)(F)F.
What is the InChIKey of N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine?
The InChIKey is IBFAMMDKXNEOFO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H16F4N4/c17-11-3-1-9(2-4-11)12-7-10(12)8-23-13-5-6-22-15(24-21)14(13)16(18,19)20/h1-6,10,12H,7-8,21H2,(H2,22,23,24)/t10-,12-/m1/s1.
What are the key properties of N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine?
N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine has a molecular weight of 340.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-hydrazinyl-3-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 86696525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).