6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine

C15H21N5O — CID 166305739

IUPAC6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine
SMILESCC(C)O[C@@H]1CCC[C@H]1n1cc(-c2cccc(N)n2)nn1
InChIInChI=1S/C15H21N5O/c1-10(2)21-14-7-4-6-13(14)20-9-12(18-19-20)11-5-3-8-15(16)17-11/h3,5,8-10,13-14H,4,6-7H2,1-2H3,(H2,16,17)/t13-,14-/m1/s1
InChIKeyPTLIXHOCWMJVSD-ZIAGYGMSSA-N
MW287.37 g/mol
LogP2.44
Rot. Bonds4

About 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine

6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine (PubChem CID 166305739) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine
PubChem CID166305739
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine
SMILESCC(C)O[C@@H]1CCC[C@H]1n1cc(-c2cccc(N)n2)nn1
InChIInChI=1S/C15H21N5O/c1-10(2)21-14-7-4-6-13(14)20-9-12(18-19-20)11-5-3-8-15(16)17-11/h3,5,8-10,13-14H,4,6-7H2,1-2H3,(H2,16,17)/t13-,14-/m1/s1
InChIKeyPTLIXHOCWMJVSD-ZIAGYGMSSA-N
XLogP2.44
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine?
The IUPAC name of 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine (CID 166305739) is 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine?
The canonical SMILES for 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine is CC(C)O[C@@H]1CCC[C@H]1n1cc(-c2cccc(N)n2)nn1.
What is the InChIKey of 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine?
The InChIKey is PTLIXHOCWMJVSD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)21-14-7-4-6-13(14)20-9-12(18-19-20)11-5-3-8-15(16)17-11/h3,5,8-10,13-14H,4,6-7H2,1-2H3,(H2,16,17)/t13-,14-/m1/s1.
What are the key properties of 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine?
6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1R,2R)-2-propan-2-yloxycyclopentyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 166305739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).