(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine

C12H22N4 — CID 94554729

IUPAC(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1nncn1C1CCCC1
InChIInChI=1S/C12H22N4/c1-9(2)7-11(13)12-15-14-8-16(12)10-5-3-4-6-10/h8-11H,3-7,13H2,1-2H3/t11-/m1/s1
InChIKeyWEDFHIMZGYYNOU-LLVKDONJSA-N
MW222.34 g/mol
LogP2.44
Rot. Bonds4

About (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine

(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine (PubChem CID 94554729) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
PubChem CID94554729
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1nncn1C1CCCC1
InChIInChI=1S/C12H22N4/c1-9(2)7-11(13)12-15-14-8-16(12)10-5-3-4-6-10/h8-11H,3-7,13H2,1-2H3/t11-/m1/s1
InChIKeyWEDFHIMZGYYNOU-LLVKDONJSA-N
XLogP2.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 24707659
1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 62711601
(1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol
CID 94554715
3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541547
(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol
CID 94554751
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine
CID 62710919
1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
CID 62696618
3-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541548
(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983689
2-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226790
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine
CID 55123160
ethyl 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpentanoate
CID 79471556

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine (CID 94554729) is (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine is CC(C)C[C@@H](N)c1nncn1C1CCCC1.
What is the InChIKey of (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The InChIKey is WEDFHIMZGYYNOU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)7-11(13)12-15-14-8-16(12)10-5-3-4-6-10/h8-11H,3-7,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 94554729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).