[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone

C13H23N5O2 — CID 139002271

IUPAC[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCC1CN(CC(C)(C)O)CCN1C(=O)c1cn(C)nn1
InChIInChI=1S/C13H23N5O2/c1-10-7-17(9-13(2,3)20)5-6-18(10)12(19)11-8-16(4)15-14-11/h8,10,20H,5-7,9H2,1-4H3
InChIKeyQKTBUCMINCFNDZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.27
Rot. Bonds3

About [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone

[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone (PubChem CID 139002271) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone
PubChem CID139002271
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCC1CN(CC(C)(C)O)CCN1C(=O)c1cn(C)nn1
InChIInChI=1S/C13H23N5O2/c1-10-7-17(9-13(2,3)20)5-6-18(10)12(19)11-8-16(4)15-14-11/h8,10,20H,5-7,9H2,1-4H3
InChIKeyQKTBUCMINCFNDZ-UHFFFAOYSA-N
XLogP-0.27
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone (CID 139002271) is [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone is CC1CN(CC(C)(C)O)CCN1C(=O)c1cn(C)nn1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone?
The InChIKey is QKTBUCMINCFNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10-7-17(9-13(2,3)20)5-6-18(10)12(19)11-8-16(4)15-14-11/h8,10,20H,5-7,9H2,1-4H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone?
[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 139002271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).