[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol

C12H16F3N3O — CID 102719028

IUPAC[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol
SMILESCNc1cc(C(F)(F)F)cc(NCC2(CO)CC2)n1
InChIInChI=1S/C12H16F3N3O/c1-16-9-4-8(12(13,14)15)5-10(18-9)17-6-11(7-19)2-3-11/h4-5,19H,2-3,6-7H2,1H3,(H2,16,17,18)
InChIKeyZIYSPPSOFXZNDF-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.33
Rot. Bonds5

About [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol

[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol (PubChem CID 102719028) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol
PubChem CID102719028
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol
SMILESCNc1cc(C(F)(F)F)cc(NCC2(CO)CC2)n1
InChIInChI=1S/C12H16F3N3O/c1-16-9-4-8(12(13,14)15)5-10(18-9)17-6-11(7-19)2-3-11/h4-5,19H,2-3,6-7H2,1H3,(H2,16,17,18)
InChIKeyZIYSPPSOFXZNDF-UHFFFAOYSA-N
XLogP2.33
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol (CID 102719028) is [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol is CNc1cc(C(F)(F)F)cc(NCC2(CO)CC2)n1.
What is the InChIKey of [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol?
The InChIKey is ZIYSPPSOFXZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-16-9-4-8(12(13,14)15)5-10(18-9)17-6-11(7-19)2-3-11/h4-5,19H,2-3,6-7H2,1H3,(H2,16,17,18).
What are the key properties of [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol?
[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol has a molecular weight of 275.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 102719028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).