N,N-diamino-3-(trifluoromethyl)pyridin-2-amine

C6H7F3N4 — CID 68718217

IUPACN,N-diamino-3-(trifluoromethyl)pyridin-2-amine
SMILESNN(N)c1ncccc1C(F)(F)F
InChIInChI=1S/C6H7F3N4/c7-6(8,9)4-2-1-3-12-5(4)13(10)11/h1-3H,10-11H2
InChIKeyKITGQWHASNLJOC-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.65
Rot. Bonds1

About N,N-diamino-3-(trifluoromethyl)pyridin-2-amine

N,N-diamino-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 68718217) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is N,N-diamino-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-diamino-3-(trifluoromethyl)pyridin-2-amine
PubChem CID68718217
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC NameN,N-diamino-3-(trifluoromethyl)pyridin-2-amine
SMILESNN(N)c1ncccc1C(F)(F)F
InChIInChI=1S/C6H7F3N4/c7-6(8,9)4-2-1-3-12-5(4)13(10)11/h1-3H,10-11H2
InChIKeyKITGQWHASNLJOC-UHFFFAOYSA-N
XLogP0.65
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.65
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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Related Compounds

N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 55218815
N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 62969577
N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 66181620
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 116653234
N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 60875517
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
CID 159042611
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 62004487
N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 76993842

Frequently Asked Questions

What is the IUPAC name of N,N-diamino-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N,N-diamino-3-(trifluoromethyl)pyridin-2-amine (CID 68718217) is N,N-diamino-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N,N-diamino-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N,N-diamino-3-(trifluoromethyl)pyridin-2-amine is NN(N)c1ncccc1C(F)(F)F.
What is the InChIKey of N,N-diamino-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KITGQWHASNLJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-6(8,9)4-2-1-3-12-5(4)13(10)11/h1-3H,10-11H2.
What are the key properties of N,N-diamino-3-(trifluoromethyl)pyridin-2-amine?
N,N-diamino-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 192.14 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diamino-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 68718217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).