[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol

C9H16N4O — CID 103866930

IUPAC[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCn1cc(CN2CCC[C@@H]2CO)nn1
InChIInChI=1S/C9H16N4O/c1-12-5-8(10-11-12)6-13-4-2-3-9(13)7-14/h5,9,14H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyWRYCGZLMVBJZSV-SECBINFHSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds3

About [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 103866930) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID103866930
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCn1cc(CN2CCC[C@@H]2CO)nn1
InChIInChI=1S/C9H16N4O/c1-12-5-8(10-11-12)6-13-4-2-3-9(13)7-14/h5,9,14H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyWRYCGZLMVBJZSV-SECBINFHSA-N
XLogP-0.23
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107053958
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029
3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine
CID 131111205
[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 107052540
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62040964
4-bromo-1-[(1-methyltriazol-4-yl)methyl]azepane
CID 130678061
[1-[(5-aminopyrazin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103056039
[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 65417436
[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
CID 97169575
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79037926
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 126981102

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 103866930) is [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol is Cn1cc(CN2CCC[C@@H]2CO)nn1.
What is the InChIKey of [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is WRYCGZLMVBJZSV-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12-5-8(10-11-12)6-13-4-2-3-9(13)7-14/h5,9,14H,2-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103866930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).