formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol

C11H20N4O3 — CID 154909968

IUPACformic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESCc1nncn1CCN1CCC(CO)C1.O=CO
InChIInChI=1S/C10H18N4O.CH2O2/c1-9-12-11-8-14(9)5-4-13-3-2-10(6-13)7-15;2-1-3/h8,10,15H,2-7H2,1H3;1H,(H,2,3)
InChIKeyDWQQHFMYAYTHQU-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.40
Rot. Bonds4

About formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol

formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 154909968) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Nameformic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID154909968
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Nameformic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESCc1nncn1CCN1CCC(CO)C1.O=CO
InChIInChI=1S/C10H18N4O.CH2O2/c1-9-12-11-8-14(9)5-4-13-3-2-10(6-13)7-15;2-1-3/h8,10,15H,2-7H2,1H3;1H,(H,2,3)
InChIKeyDWQQHFMYAYTHQU-UHFFFAOYSA-N
XLogP-0.40
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]propan-1-ol
CID 154909955
5-fluoro-N-[[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide;formic acid
CID 154911795
N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97282563
3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine
CID 131922870
3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39826176
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
CID 131902621
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
CID 112626363
[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111442682

Frequently Asked Questions

What is the IUPAC name of formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol (CID 154909968) is formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol is Cc1nncn1CCN1CCC(CO)C1.O=CO.
What is the InChIKey of formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is DWQQHFMYAYTHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.CH2O2/c1-9-12-11-8-14(9)5-4-13-3-2-10(6-13)7-15;2-1-3/h8,10,15H,2-7H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol?
formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 256.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 154909968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).