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

C28H44N8 — CID 160547276

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

1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole (PubChem CID 160547276) has the molecular formula C28H44N8 and a molecular weight of 492.72 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
• PubChem CID: 160547276
• Molecular Formula: C28H44N8
• Molecular Weight: 492.72 g/mol
• Exact Mass: 492.37
• IUPAC Name: 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
• SMILES: CC(C)=Cc1nc(N2CCCC2)n(CC2CC2)n1.CC(C)=Cc1nc(N2CCCC2)nn1CC1CC1
• InChI: InChI=1S/2C14H22N4/c1-11(2)9-13-15-14(17-7-3-4-8-17)16-18(13)10-12-5-6-12;1-11(2)9-13-15-14(17-7-3-4-8-17)18(16-13)10-12-5-6-12/h2*9,12H,3-8,10H2,1-2H3
• InChIKey: QXPDLPCHIJVPFD-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 67.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.72
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole?

The IUPAC name of 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole (CID 160547276) is 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole.

What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole?

The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole is CC(C)=Cc1nc(N2CCCC2)n(CC2CC2)n1.CC(C)=Cc1nc(N2CCCC2)nn1CC1CC1.

What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole?

The InChIKey is QXPDLPCHIJVPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H22N4/c1-11(2)9-13-15-14(17-7-3-4-8-17)16-18(13)10-12-5-6-12;1-11(2)9-13-15-14(17-7-3-4-8-17)18(16-13)10-12-5-6-12/h2*9,12H,3-8,10H2,1-2H3.

What are the key properties of 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole?

1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole has a molecular weight of 492.72 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole;1-(cyclopropylmethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole is sourced from PubChem (CID 160547276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).