4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine

C19H33N5 — CID 70720739

IUPAC4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1
InChIInChI=1S/C19H33N5/c1-15(2)13-23-11-7-16(8-12-23)19-21-20-18(24(19)17-5-6-17)14-22-9-3-4-10-22/h15-17H,3-14H2,1-2H3
InChIKeyZYHGAVZERFPHAY-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.04
Rot. Bonds6

About 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine

4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine (PubChem CID 70720739) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine
PubChem CID70720739
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1
InChIInChI=1S/C19H33N5/c1-15(2)13-23-11-7-16(8-12-23)19-21-20-18(24(19)17-5-6-17)14-22-9-3-4-10-22/h15-17H,3-14H2,1-2H3
InChIKeyZYHGAVZERFPHAY-UHFFFAOYSA-N
XLogP3.04
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine (CID 70720739) is 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine is CC(C)CN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1.
What is the InChIKey of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine?
The InChIKey is ZYHGAVZERFPHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-15(2)13-23-11-7-16(8-12-23)19-21-20-18(24(19)17-5-6-17)14-22-9-3-4-10-22/h15-17H,3-14H2,1-2H3.
What are the key properties of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine?
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine has a molecular weight of 331.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 70720739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).