1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol

C9H16N4O — CID 127016465

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol
SMILESCn1cnnc1C(C)(O)C1CCNC1
InChIInChI=1S/C9H16N4O/c1-9(14,7-3-4-10-5-7)8-12-11-6-13(8)2/h6-7,10,14H,3-5H2,1-2H3
InChIKeyGRZYWCXODVGXJW-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.37
Rot. Bonds2

About 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol

1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol (PubChem CID 127016465) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol
PubChem CID127016465
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol
SMILESCn1cnnc1C(C)(O)C1CCNC1
InChIInChI=1S/C9H16N4O/c1-9(14,7-3-4-10-5-7)8-12-11-6-13(8)2/h6-7,10,14H,3-5H2,1-2H3
InChIKeyGRZYWCXODVGXJW-UHFFFAOYSA-N
XLogP-0.37
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol (CID 127016465) is 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol is Cn1cnnc1C(C)(O)C1CCNC1.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol?
The InChIKey is GRZYWCXODVGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(14,7-3-4-10-5-7)8-12-11-6-13(8)2/h6-7,10,14H,3-5H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol?
1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol has a molecular weight of 196.25 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol is sourced from PubChem (CID 127016465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).