[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol

C9H16N4O — CID 65417436

IUPAC[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCn1ncnc1CN1CCC[C@H]1CO
InChIInChI=1S/C9H16N4O/c1-12-9(10-7-11-12)5-13-4-2-3-8(13)6-14/h7-8,14H,2-6H2,1H3/t8-/m0/s1
InChIKeyKWHANAKWMKIMHK-QMMMGPOBSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds3

About [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 65417436) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID65417436
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCn1ncnc1CN1CCC[C@H]1CO
InChIInChI=1S/C9H16N4O/c1-12-9(10-7-11-12)5-13-4-2-3-8(13)6-14/h7-8,14H,2-6H2,1H3/t8-/m0/s1
InChIKeyKWHANAKWMKIMHK-QMMMGPOBSA-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

[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride
CID 119916298
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339595
tert-butyl (2R)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 80710084
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 60685083
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 65417215
[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103866930
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106745131
[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 111103310
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]azepan-2-yl]methanol
CID 116637538
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol (CID 65417436) is [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol is Cn1ncnc1CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is KWHANAKWMKIMHK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12-9(10-7-11-12)5-13-4-2-3-8(13)6-14/h7-8,14H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(2-methyl-1,2,4-triazol-3-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 [(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 65417436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).