N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

C14H19F3N6O2 — CID 70684652

IUPACN-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCOCC(C)Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCO1
InChIInChI=1S/C14H19F3N6O2/c1-8(7-24-2)18-11-10-12(20-13(19-11)14(15,16)17)23(22-21-10)6-9-4-3-5-25-9/h8-9H,3-7H2,1-2H3,(H,18,19,20)/t8?,9-/m1/s1
InChIKeyOOQIPCWNFICBMV-YGPZHTELSA-N
MW360.34 g/mol
LogP1.87
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70684652) has the molecular formula C14H19F3N6O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70684652
Molecular FormulaC14H19F3N6O2
Molecular Weight360.34 g/mol
Exact Mass360.15
IUPAC NameN-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCOCC(C)Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCO1
InChIInChI=1S/C14H19F3N6O2/c1-8(7-24-2)18-11-10-12(20-13(19-11)14(15,16)17)23(22-21-10)6-9-4-3-5-25-9/h8-9H,3-7H2,1-2H3,(H,18,19,20)/t8?,9-/m1/s1
InChIKeyOOQIPCWNFICBMV-YGPZHTELSA-N
XLogP1.87
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 70684652) is N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is COCC(C)Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCO1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is OOQIPCWNFICBMV-YGPZHTELSA-N. The full InChI is InChI=1S/C14H19F3N6O2/c1-8(7-24-2)18-11-10-12(20-13(19-11)14(15,16)17)23(22-21-10)6-9-4-3-5-25-9/h8-9H,3-7H2,1-2H3,(H,18,19,20)/t8?,9-/m1/s1.
What are the key properties of N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 360.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70684652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).