3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole

C10H18N4 — CID 90327684

IUPAC3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole
SMILESCc1nnc(C(C)N2CCCC2)n1C
InChIInChI=1S/C10H18N4/c1-8(14-6-4-5-7-14)10-12-11-9(2)13(10)3/h8H,4-7H2,1-3H3
InChIKeyUVORJDWYGDKAOF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.28
Rot. Bonds2

About 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole

3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole (PubChem CID 90327684) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole
PubChem CID90327684
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole
SMILESCc1nnc(C(C)N2CCCC2)n1C
InChIInChI=1S/C10H18N4/c1-8(14-6-4-5-7-14)10-12-11-9(2)13(10)3/h8H,4-7H2,1-3H3
InChIKeyUVORJDWYGDKAOF-UHFFFAOYSA-N
XLogP1.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole?
The IUPAC name of 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole (CID 90327684) is 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole.
What is the SMILES notation for 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole?
The canonical SMILES for 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole is Cc1nnc(C(C)N2CCCC2)n1C.
What is the InChIKey of 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole?
The InChIKey is UVORJDWYGDKAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(14-6-4-5-7-14)10-12-11-9(2)13(10)3/h8H,4-7H2,1-3H3.
What are the key properties of 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole?
3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole has a molecular weight of 194.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(1-pyrrolidin-1-ylethyl)-1,2,4-triazole is sourced from PubChem (CID 90327684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).