N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine

C15H27N5O — CID 64580406

IUPACN-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCn3cnnc3C2)CCCOC1
InChIInChI=1S/C15H27N5O/c1-2-5-16-10-15(4-3-8-21-12-15)11-19-6-7-20-13-17-18-14(20)9-19/h13,16H,2-12H2,1H3
InChIKeySPZOTQONGMBABV-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.89
Rot. Bonds6

About N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine

N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine (PubChem CID 64580406) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine
PubChem CID64580406
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCn3cnnc3C2)CCCOC1
InChIInChI=1S/C15H27N5O/c1-2-5-16-10-15(4-3-8-21-12-15)11-19-6-7-20-13-17-18-14(20)9-19/h13,16H,2-12H2,1H3
InChIKeySPZOTQONGMBABV-UHFFFAOYSA-N
XLogP0.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ylmethyl)oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine (CID 64580406) is N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CCn3cnnc3C2)CCCOC1.
What is the InChIKey of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine?
The InChIKey is SPZOTQONGMBABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-2-5-16-10-15(4-3-8-21-12-15)11-19-6-7-20-13-17-18-14(20)9-19/h13,16H,2-12H2,1H3.
What are the key properties of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine?
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-ylmethyl)oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 64580406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).