2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H13F3N4 — CID 79876815

IUPAC2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC(CN)C1CC1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)10-4-3-8(5-16)11(19-10)18-9(6-17)7-1-2-7/h3-4,7,9H,1-2,6,17H2,(H,18,19)
InChIKeyWUVMOKZSKQVHQD-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.12
Rot. Bonds4

About 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79876815) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79876815
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC(CN)C1CC1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)10-4-3-8(5-16)11(19-10)18-9(6-17)7-1-2-7/h3-4,7,9H,1-2,6,17H2,(H,18,19)
InChIKeyWUVMOKZSKQVHQD-UHFFFAOYSA-N
XLogP2.12
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79876815) is 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NC(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WUVMOKZSKQVHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c13-12(14,15)10-4-3-8(5-16)11(19-10)18-9(6-17)7-1-2-7/h3-4,7,9H,1-2,6,17H2,(H,18,19).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 270.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79876815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).