(3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol

C8H15N5O — CID 130493845

IUPAC(3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol
SMILESCN(C)c1n[nH]c([C@H]2C[C@@H](O)CN2)n1
InChIInChI=1S/C8H15N5O/c1-13(2)8-10-7(11-12-8)6-3-5(14)4-9-6/h5-6,9,14H,3-4H2,1-2H3,(H,10,11,12)/t5-,6-/m1/s1
InChIKeySWRGCIIGRVVZHX-PHDIDXHHSA-N
MW197.24 g/mol
LogP-0.73
Rot. Bonds2

About (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol

(3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol (PubChem CID 130493845) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol
PubChem CID130493845
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name(3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol
SMILESCN(C)c1n[nH]c([C@H]2C[C@@H](O)CN2)n1
InChIInChI=1S/C8H15N5O/c1-13(2)8-10-7(11-12-8)6-3-5(14)4-9-6/h5-6,9,14H,3-4H2,1-2H3,(H,10,11,12)/t5-,6-/m1/s1
InChIKeySWRGCIIGRVVZHX-PHDIDXHHSA-N
XLogP-0.73
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104911614
ethyl 5-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylate
CID 104911703
N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine
CID 114244272
(3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104911664
(5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104911665
(3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104912637
(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
(3R,5S)-5-[5-[4-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-3-ol
CID 59669031
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
(3S,5S)-5-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
CID 104912639
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol (CID 130493845) is (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol is CN(C)c1n[nH]c([C@H]2C[C@@H](O)CN2)n1.
What is the InChIKey of (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol?
The InChIKey is SWRGCIIGRVVZHX-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H15N5O/c1-13(2)8-10-7(11-12-8)6-3-5(14)4-9-6/h5-6,9,14H,3-4H2,1-2H3,(H,10,11,12)/t5-,6-/m1/s1.
What are the key properties of (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol?
(3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol has a molecular weight of 197.24 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 130493845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).