5-piperazin-1-yl-3-propyl-1,2,4-triazine

C10H17N5 — CID 116823993

IUPAC5-piperazin-1-yl-3-propyl-1,2,4-triazine
SMILESCCCc1nncc(N2CCNCC2)n1
InChIInChI=1S/C10H17N5/c1-2-3-9-13-10(8-12-14-9)15-6-4-11-5-7-15/h8,11H,2-7H2,1H3
InChIKeyFKCAVKCWEXCKMS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.23
Rot. Bonds3

About 5-piperazin-1-yl-3-propyl-1,2,4-triazine

5-piperazin-1-yl-3-propyl-1,2,4-triazine (PubChem CID 116823993) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-piperazin-1-yl-3-propyl-1,2,4-triazine.

Molecular Properties

Compound Name5-piperazin-1-yl-3-propyl-1,2,4-triazine
PubChem CID116823993
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name5-piperazin-1-yl-3-propyl-1,2,4-triazine
SMILESCCCc1nncc(N2CCNCC2)n1
InChIInChI=1S/C10H17N5/c1-2-3-9-13-10(8-12-14-9)15-6-4-11-5-7-15/h8,11H,2-7H2,1H3
InChIKeyFKCAVKCWEXCKMS-UHFFFAOYSA-N
XLogP0.23
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3-propyl-1,2,4-triazine?
The IUPAC name of 5-piperazin-1-yl-3-propyl-1,2,4-triazine (CID 116823993) is 5-piperazin-1-yl-3-propyl-1,2,4-triazine.
What is the SMILES notation for 5-piperazin-1-yl-3-propyl-1,2,4-triazine?
The canonical SMILES for 5-piperazin-1-yl-3-propyl-1,2,4-triazine is CCCc1nncc(N2CCNCC2)n1.
What is the InChIKey of 5-piperazin-1-yl-3-propyl-1,2,4-triazine?
The InChIKey is FKCAVKCWEXCKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-3-9-13-10(8-12-14-9)15-6-4-11-5-7-15/h8,11H,2-7H2,1H3.
What are the key properties of 5-piperazin-1-yl-3-propyl-1,2,4-triazine?
5-piperazin-1-yl-3-propyl-1,2,4-triazine has a molecular weight of 207.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3-propyl-1,2,4-triazine is sourced from PubChem (CID 116823993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).