[5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine

C9H15F3N4 — CID 165443789

IUPAC[5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine
SMILESCC(C)c1c(CN)nnn1C(C)C(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-5(2)8-7(4-13)14-15-16(8)6(3)9(10,11)12/h5-6H,4,13H2,1-3H3
InChIKeyDPWHFMUBGWVVPX-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.98
Rot. Bonds3

About [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine

[5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine (PubChem CID 165443789) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine
PubChem CID165443789
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name[5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine
SMILESCC(C)c1c(CN)nnn1C(C)C(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-5(2)8-7(4-13)14-15-16(8)6(3)9(10,11)12/h5-6H,4,13H2,1-3H3
InChIKeyDPWHFMUBGWVVPX-UHFFFAOYSA-N
XLogP1.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine (CID 165443789) is [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine is CC(C)c1c(CN)nnn1C(C)C(F)(F)F.
What is the InChIKey of [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine?
The InChIKey is DPWHFMUBGWVVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-5(2)8-7(4-13)14-15-16(8)6(3)9(10,11)12/h5-6H,4,13H2,1-3H3.
What are the key properties of [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine?
[5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine has a molecular weight of 236.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 165443789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).