6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine

C10H17ClN6 — CID 126653242

IUPAC6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCN1CCN(c2nnc(Cl)c(N)n2)CC1
InChIInChI=1S/C10H17ClN6/c1-2-3-16-4-6-17(7-5-16)10-13-9(12)8(11)14-15-10/h2-7H2,1H3,(H2,12,13,15)
InChIKeyJVWQPIDYURNCAB-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.64
Rot. Bonds3

About 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine

6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 126653242) has the molecular formula C10H17ClN6 and a molecular weight of 256.74 g/mol. Its IUPAC name is 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID126653242
Molecular FormulaC10H17ClN6
Molecular Weight256.74 g/mol
Exact Mass256.12
IUPAC Name6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCN1CCN(c2nnc(Cl)c(N)n2)CC1
InChIInChI=1S/C10H17ClN6/c1-2-3-16-4-6-17(7-5-16)10-13-9(12)8(11)14-15-10/h2-7H2,1H3,(H2,12,13,15)
InChIKeyJVWQPIDYURNCAB-UHFFFAOYSA-N
XLogP0.64
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 126653242) is 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine is CCCN1CCN(c2nnc(Cl)c(N)n2)CC1.
What is the InChIKey of 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is JVWQPIDYURNCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN6/c1-2-3-16-4-6-17(7-5-16)10-13-9(12)8(11)14-15-10/h2-7H2,1H3,(H2,12,13,15).
What are the key properties of 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine?
6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 256.74 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-propylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 126653242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).