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

C15H21N5O2 — CID 75529397

IUPAC(1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESCN(C)[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H21N5O2/c1-19(2)13-6-11(14(21)15(13)22)8-20-9-12(17-18-20)10-4-3-5-16-7-10/h3-5,7,9,11,13-15,21-22H,6,8H2,1-2H3/t11-,13-,14-,15+/m1/s1
InChIKeyJHGRLZVNQHDPSK-NGFQHRJXSA-N
MW303.37 g/mol
LogP0.01
Rot. Bonds4

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

(1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (PubChem CID 75529397) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
PubChem CID75529397
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESCN(C)[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H21N5O2/c1-19(2)13-6-11(14(21)15(13)22)8-20-9-12(17-18-20)10-4-3-5-16-7-10/h3-5,7,9,11,13-15,21-22H,6,8H2,1-2H3/t11-,13-,14-,15+/m1/s1
InChIKeyJHGRLZVNQHDPSK-NGFQHRJXSA-N
XLogP0.01
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (CID 75529397) is (1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is CN(C)[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The InChIKey is JHGRLZVNQHDPSK-NGFQHRJXSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19(2)13-6-11(14(21)15(13)22)8-20-9-12(17-18-20)10-4-3-5-16-7-10/h3-5,7,9,11,13-15,21-22H,6,8H2,1-2H3/t11-,13-,14-,15+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol has a molecular weight of 303.37 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-(dimethylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75529397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).