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

C9H16N4O — CID 106021383

IUPAC[4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCN1CCCC1Cn1cnnc1CO
InChIInChI=1S/C9H16N4O/c1-12-4-2-3-8(12)5-13-7-10-11-9(13)6-14/h7-8,14H,2-6H2,1H3
InChIKeyUGNBIDHSWDPSGT-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.14
Rot. Bonds3

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

[4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 106021383) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID106021383
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCN1CCCC1Cn1cnnc1CO
InChIInChI=1S/C9H16N4O/c1-12-4-2-3-8(12)5-13-7-10-11-9(13)6-14/h7-8,14H,2-6H2,1H3
InChIKeyUGNBIDHSWDPSGT-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 106025646
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493953
[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 6931395
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
[5,6-dimethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]indazol-3-yl]methanol
CID 139698819
[2-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 155881662
1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565238
[4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol
CID 130840690
4-(2-methoxyethyl)-3-(1-methylpyrrolidin-2-yl)-1,2,4-triazole
CID 110255440

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol (CID 106021383) is [4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol is CN1CCCC1Cn1cnnc1CO.
What is the InChIKey of [4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is UGNBIDHSWDPSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12-4-2-3-8(12)5-13-7-10-11-9(13)6-14/h7-8,14H,2-6H2,1H3.
What are the key properties of [4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol?
[4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 106021383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).