N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine

C13H25N5 — CID 64579660

IUPACN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCn2cnnc2C1
InChIInChI=1S/C13H25N5/c1-4-12(5-2)14-8-11(3)17-6-7-18-10-15-16-13(18)9-17/h10-12,14H,4-9H2,1-3H3
InChIKeyBQCQHZLOTXEEFZ-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine (PubChem CID 64579660) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine
PubChem CID64579660
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCn2cnnc2C1
InChIInChI=1S/C13H25N5/c1-4-12(5-2)14-8-11(3)17-6-7-18-10-15-16-13(18)9-17/h10-12,14H,4-9H2,1-3H3
InChIKeyBQCQHZLOTXEEFZ-UHFFFAOYSA-N
XLogP1.26
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine?
The IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine (CID 64579660) is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine is CCC(CC)NCC(C)N1CCn2cnnc2C1.
What is the InChIKey of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine?
The InChIKey is BQCQHZLOTXEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-12(5-2)14-8-11(3)17-6-7-18-10-15-16-13(18)9-17/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine?
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine has a molecular weight of 251.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine is sourced from PubChem (CID 64579660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).