5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H25N7 — CID 133289522

IUPAC5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCC(C)N2CCN(C)CC2)n2ncnc2n1
InChIInChI=1S/C15H25N7/c1-4-13-9-14(22-15(19-13)17-11-18-22)16-10-12(2)21-7-5-20(3)6-8-21/h9,11-12,16H,4-8,10H2,1-3H3
InChIKeySHHKREFPEAGSBD-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.73
Rot. Bonds5

About 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133289522) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133289522
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCC(C)N2CCN(C)CC2)n2ncnc2n1
InChIInChI=1S/C15H25N7/c1-4-13-9-14(22-15(19-13)17-11-18-22)16-10-12(2)21-7-5-20(3)6-8-21/h9,11-12,16H,4-8,10H2,1-3H3
InChIKeySHHKREFPEAGSBD-UHFFFAOYSA-N
XLogP0.73
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133289522) is 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCC(C)N2CCN(C)CC2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SHHKREFPEAGSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7/c1-4-13-9-14(22-15(19-13)17-11-18-22)16-10-12(2)21-7-5-20(3)6-8-21/h9,11-12,16H,4-8,10H2,1-3H3.
What are the key properties of 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 303.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133289522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).