1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole

C11H18N4 — CID 90017042

IUPAC1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole
SMILESCC(C)=Cc1nc(N2CCCC2)n(C)n1
InChIInChI=1S/C11H18N4/c1-9(2)8-10-12-11(14(3)13-10)15-6-4-5-7-15/h8H,4-7H2,1-3H3
InChIKeyHZZUGEHDYRNIAL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.84
Rot. Bonds2

About 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole

1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole (PubChem CID 90017042) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole
PubChem CID90017042
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole
SMILESCC(C)=Cc1nc(N2CCCC2)n(C)n1
InChIInChI=1S/C11H18N4/c1-9(2)8-10-12-11(14(3)13-10)15-6-4-5-7-15/h8H,4-7H2,1-3H3
InChIKeyHZZUGEHDYRNIAL-UHFFFAOYSA-N
XLogP1.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-prop enyl)-3-pyrrolidin-1-yl-1-(2,2,2-trifluoro-ethyl)-1H-[1,2,4]triazole
CID 90016776
1-(2,2-Difluoroethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
CID 90016966
5-(2-Methylprop-1-enyl)-3-pyrrolidin-1-yl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 123408888
3-(3,3-Difluoropyrrolidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381936
1-(2,2-Difluoroethyl)-5-ethenyl-3-pyrrolidin-1-yl-1,2,4-triazole
CID 141381938
5-Ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
CID 141381952
1-Methyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole;1,1,1-trifluoroethane
CID 145675773
5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10867177
2,6,7-trimethyl-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 20650442
1-(Cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
CID 90017322
1-(Cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole
CID 90017359
3-(2-Methylprop-1-enyl)-1-propyl-5-pyrrolidin-1-yl-1,2,4-triazole
CID 90017609

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole?
The IUPAC name of 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole (CID 90017042) is 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole is CC(C)=Cc1nc(N2CCCC2)n(C)n1.
What is the InChIKey of 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole?
The InChIKey is HZZUGEHDYRNIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9(2)8-10-12-11(14(3)13-10)15-6-4-5-7-15/h8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole?
1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole has a molecular weight of 206.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole is sourced from PubChem (CID 90017042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).