(1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol

C18H25N5O3 — CID 75529395

IUPAC(1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESO[C@@H]1[C@@H](Cn2cc(-c3cccnc3)nn2)C[C@@H](NC2CCOCC2)[C@@H]1O
InChIInChI=1S/C18H25N5O3/c24-17-13(8-15(18(17)25)20-14-3-6-26-7-4-14)10-23-11-16(21-22-23)12-2-1-5-19-9-12/h1-2,5,9,11,13-15,17-18,20,24-25H,3-4,6-8,10H2/t13-,15-,17-,18+/m1/s1
InChIKeyJRIDSKJXCXCQRK-UWIFEVILSA-N
MW359.43 g/mol
LogP0.22
Rot. Bonds5

About (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (PubChem CID 75529395) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
PubChem CID75529395
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESO[C@@H]1[C@@H](Cn2cc(-c3cccnc3)nn2)C[C@@H](NC2CCOCC2)[C@@H]1O
InChIInChI=1S/C18H25N5O3/c24-17-13(8-15(18(17)25)20-14-3-6-26-7-4-14)10-23-11-16(21-22-23)12-2-1-5-19-9-12/h1-2,5,9,11,13-15,17-18,20,24-25H,3-4,6-8,10H2/t13-,15-,17-,18+/m1/s1
InChIKeyJRIDSKJXCXCQRK-UWIFEVILSA-N
XLogP0.22
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (CID 75529395) is (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is O[C@@H]1[C@@H](Cn2cc(-c3cccnc3)nn2)C[C@@H](NC2CCOCC2)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The InChIKey is JRIDSKJXCXCQRK-UWIFEVILSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-17-13(8-15(18(17)25)20-14-3-6-26-7-4-14)10-23-11-16(21-22-23)12-2-1-5-19-9-12/h1-2,5,9,11,13-15,17-18,20,24-25H,3-4,6-8,10H2/t13-,15-,17-,18+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol has a molecular weight of 359.43 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75529395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).