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

C12H20N4 — CID 90017980

IUPAC1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
SMILESCCn1nc(N2CCCC2)nc1C=C(C)C
InChIInChI=1S/C12H20N4/c1-4-16-11(9-10(2)3)13-12(14-16)15-7-5-6-8-15/h9H,4-8H2,1-3H3
InChIKeyKUOACXKRRXHLKS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds3

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

1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole (PubChem CID 90017980) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
PubChem CID90017980
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
SMILESCCn1nc(N2CCCC2)nc1C=C(C)C
InChIInChI=1S/C12H20N4/c1-4-16-11(9-10(2)3)13-12(14-16)15-7-5-6-8-15/h9H,4-8H2,1-3H3
InChIKeyKUOACXKRRXHLKS-UHFFFAOYSA-N
XLogP2.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole (CID 90017980) is 1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole is CCn1nc(N2CCCC2)nc1C=C(C)C.
What is the InChIKey of 1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole?
The InChIKey is KUOACXKRRXHLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-16-11(9-10(2)3)13-12(14-16)15-7-5-6-8-15/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole?
1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole has a molecular weight of 220.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole is sourced from PubChem (CID 90017980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).