1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine

C19H26N6O — CID 119052018

IUPAC1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine
SMILESc1ccc(-c2nnc(N3CCN(C4CC4)CC3)n2CC2CCOC2)nc1
InChIInChI=1S/C19H26N6O/c1-2-7-20-17(3-1)18-21-22-19(25(18)13-15-6-12-26-14-15)24-10-8-23(9-11-24)16-4-5-16/h1-3,7,15-16H,4-6,8-14H2
InChIKeyUBSQTANHNOXQOA-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.66
Rot. Bonds5

About 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine

1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine (PubChem CID 119052018) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine
PubChem CID119052018
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine
SMILESc1ccc(-c2nnc(N3CCN(C4CC4)CC3)n2CC2CCOC2)nc1
InChIInChI=1S/C19H26N6O/c1-2-7-20-17(3-1)18-21-22-19(25(18)13-15-6-12-26-14-15)24-10-8-23(9-11-24)16-4-5-16/h1-3,7,15-16H,4-6,8-14H2
InChIKeyUBSQTANHNOXQOA-UHFFFAOYSA-N
XLogP1.66
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine (CID 119052018) is 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine is c1ccc(-c2nnc(N3CCN(C4CC4)CC3)n2CC2CCOC2)nc1.
What is the InChIKey of 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine?
The InChIKey is UBSQTANHNOXQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-2-7-20-17(3-1)18-21-22-19(25(18)13-15-6-12-26-14-15)24-10-8-23(9-11-24)16-4-5-16/h1-3,7,15-16H,4-6,8-14H2.
What are the key properties of 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine?
1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine has a molecular weight of 354.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 119052018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).