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

C13H17N5O2 — CID 75529606

IUPAC(1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESNC1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17N5O2/c14-10-4-9(12(19)13(10)20)6-18-7-11(16-17-18)8-2-1-3-15-5-8/h1-3,5,7,9-10,12-13,19-20H,4,6,14H2/t9-,10?,12-,13+/m1/s1
InChIKeyCQBIZIRMAXHKRA-KVAMGIGCSA-N
MW275.31 g/mol
LogP-0.59
Rot. Bonds3

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

(1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (PubChem CID 75529606) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
PubChem CID75529606
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESNC1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17N5O2/c14-10-4-9(12(19)13(10)20)6-18-7-11(16-17-18)8-2-1-3-15-5-8/h1-3,5,7,9-10,12-13,19-20H,4,6,14H2/t9-,10?,12-,13+/m1/s1
InChIKeyCQBIZIRMAXHKRA-KVAMGIGCSA-N
XLogP-0.59
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol with MolForge

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Related Compounds

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(4-pyridin-3-yltriazol-1-yl)oxane-3,4,5-triol
CID 57393888
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-3-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885373
N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide
CID 75529334
(1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2-diol
CID 75529386
(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
CID 75529396
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide
CID 75529379
(1S,2R,3R,5R)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-5-(pyridin-3-ylmethylamino)cyclopentane-1,2-diol
CID 75529414
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]-3-propylurea
CID 75529461
(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol
CID 71694059
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide
CID 75529342
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide
CID 75529343
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide
CID 75529380

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (CID 75529606) is (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is NC1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The InChIKey is CQBIZIRMAXHKRA-KVAMGIGCSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-10-4-9(12(19)13(10)20)6-18-7-11(16-17-18)8-2-1-3-15-5-8/h1-3,5,7,9-10,12-13,19-20H,4,6,14H2/t9-,10?,12-,13+/m1/s1.
What are the key properties of (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
(1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol has a molecular weight of 275.31 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75529606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).