2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine

C11H17F3N4 — CID 115824411

IUPAC2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCn1nc(C2CCCC2)nc1C(C)(N)C(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-10(15,11(12,13)14)9-16-8(17-18(9)2)7-5-3-4-6-7/h7H,3-6,15H2,1-2H3
InChIKeySCIOVBZHKWZZMQ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.21
Rot. Bonds2

About 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine

2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 115824411) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID115824411
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCn1nc(C2CCCC2)nc1C(C)(N)C(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-10(15,11(12,13)14)9-16-8(17-18(9)2)7-5-3-4-6-7/h7H,3-6,15H2,1-2H3
InChIKeySCIOVBZHKWZZMQ-UHFFFAOYSA-N
XLogP2.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine (CID 115824411) is 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine is Cn1nc(C2CCCC2)nc1C(C)(N)C(F)(F)F.
What is the InChIKey of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is SCIOVBZHKWZZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-10(15,11(12,13)14)9-16-8(17-18(9)2)7-5-3-4-6-7/h7H,3-6,15H2,1-2H3.
What are the key properties of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 262.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 115824411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).