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

C17H29N5 — CID 70716296

IUPAC4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine
SMILESCCN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1
InChIInChI=1S/C17H29N5/c1-2-20-11-7-14(8-12-20)17-19-18-16(22(17)15-5-6-15)13-21-9-3-4-10-21/h14-15H,2-13H2,1H3
InChIKeyVDEFLLQPRZCIKZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.41
Rot. Bonds5

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

4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine (PubChem CID 70716296) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine
PubChem CID70716296
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine
SMILESCCN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1
InChIInChI=1S/C17H29N5/c1-2-20-11-7-14(8-12-20)17-19-18-16(22(17)15-5-6-15)13-21-9-3-4-10-21/h14-15H,2-13H2,1H3
InChIKeyVDEFLLQPRZCIKZ-UHFFFAOYSA-N
XLogP2.41
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.41
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-ethylpiperidine?
The IUPAC name of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine (CID 70716296) is 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine.
What is the SMILES notation for 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine?
The canonical SMILES for 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine is CCN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1.
What is the InChIKey of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine?
The InChIKey is VDEFLLQPRZCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-2-20-11-7-14(8-12-20)17-19-18-16(22(17)15-5-6-15)13-21-9-3-4-10-21/h14-15H,2-13H2,1H3.
What are the key properties of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine?
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylpiperidine has a molecular weight of 303.45 g/mol, XLogP of 2.41, 5 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-ethylpiperidine is sourced from PubChem (CID 70716296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).