1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile

C10H16N6O — CID 65449452

IUPAC1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CC(O)CN2CCNCC2)n1
InChIInChI=1S/C10H16N6O/c11-5-10-13-8-16(14-10)7-9(17)6-15-3-1-12-2-4-15/h8-9,12,17H,1-4,6-7H2
InChIKeyPANUKWOMKBSYAN-UHFFFAOYSA-N
MW236.28 g/mol
LogP-1.58
Rot. Bonds4

About 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile

1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile (PubChem CID 65449452) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile
PubChem CID65449452
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CC(O)CN2CCNCC2)n1
InChIInChI=1S/C10H16N6O/c11-5-10-13-8-16(14-10)7-9(17)6-15-3-1-12-2-4-15/h8-9,12,17H,1-4,6-7H2
InChIKeyPANUKWOMKBSYAN-UHFFFAOYSA-N
XLogP-1.58
TPSA90.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile (CID 65449452) is 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(CC(O)CN2CCNCC2)n1.
What is the InChIKey of 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile?
The InChIKey is PANUKWOMKBSYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c11-5-10-13-8-16(14-10)7-9(17)6-15-3-1-12-2-4-15/h8-9,12,17H,1-4,6-7H2.
What are the key properties of 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile?
1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of -1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 65449452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).