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

C10H16N4 — CID 90017697

IUPAC5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole
SMILESCC(C)=Cc1nc(N2CCCC2)n[nH]1
InChIInChI=1S/C10H16N4/c1-8(2)7-9-11-10(13-12-9)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyJKZXKGNOCABJDK-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.83
Rot. Bonds2

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

5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole (PubChem CID 90017697) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole
PubChem CID90017697
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole
SMILESCC(C)=Cc1nc(N2CCCC2)n[nH]1
InChIInChI=1S/C10H16N4/c1-8(2)7-9-11-10(13-12-9)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyJKZXKGNOCABJDK-UHFFFAOYSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole (CID 90017697) is 5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole is CC(C)=Cc1nc(N2CCCC2)n[nH]1.
What is the InChIKey of 5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole?
The InChIKey is JKZXKGNOCABJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8(2)7-9-11-10(13-12-9)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole?
5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole has a molecular weight of 192.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole is sourced from PubChem (CID 90017697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).