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

C11H19N5 — CID 64577174

IUPACN-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine
SMILESc1nnc2n1CCN(CCCNC1CC1)C2
InChIInChI=1S/C11H19N5/c1(4-12-10-2-3-10)5-15-6-7-16-9-13-14-11(16)8-15/h9-10,12H,1-8H2
InChIKeyBYDVUEZETIDMDU-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.24
Rot. Bonds5

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

N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine (PubChem CID 64577174) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine
PubChem CID64577174
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine
SMILESc1nnc2n1CCN(CCCNC1CC1)C2
InChIInChI=1S/C11H19N5/c1(4-12-10-2-3-10)5-15-6-7-16-9-13-14-11(16)8-15/h9-10,12H,1-8H2
InChIKeyBYDVUEZETIDMDU-UHFFFAOYSA-N
XLogP0.24
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine (CID 64577174) is N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine is c1nnc2n1CCN(CCCNC1CC1)C2.
What is the InChIKey of N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine?
The InChIKey is BYDVUEZETIDMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1(4-12-10-2-3-10)5-15-6-7-16-9-13-14-11(16)8-15/h9-10,12H,1-8H2.
What are the key properties of N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine?
N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine has a molecular weight of 221.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine is sourced from PubChem (CID 64577174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).