[3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol

C9H16N4O — CID 164649753

IUPAC[3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ncn[nH]2)C1CO
InChIInChI=1S/C9H16N4O/c1-7-2-3-13(8(7)5-14)4-9-10-6-11-12-9/h6-8,14H,2-5H2,1H3,(H,10,11,12)
InChIKeyWTTPYVKWKIKASG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.01
Rot. Bonds3

About [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 164649753) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID164649753
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ncn[nH]2)C1CO
InChIInChI=1S/C9H16N4O/c1-7-2-3-13(8(7)5-14)4-9-10-6-11-12-9/h6-8,14H,2-5H2,1H3,(H,10,11,12)
InChIKeyWTTPYVKWKIKASG-UHFFFAOYSA-N
XLogP0.01
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788624
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788244
2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 114198575
[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778580
[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778604
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788281
[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788920
[1-[(3-amino-5-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103350027
[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol
CID 102788197

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol (CID 164649753) is [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol is CC1CCN(Cc2ncn[nH]2)C1CO.
What is the InChIKey of [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is WTTPYVKWKIKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-2-3-13(8(7)5-14)4-9-10-6-11-12-9/h6-8,14H,2-5H2,1H3,(H,10,11,12).
What are the key properties of [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 164649753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).