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

C14H25N5O — CID 64578471

IUPACN-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCn3cnnc3C2)CCOCC1
InChIInChI=1S/C14H25N5O/c1-2-15-10-14(3-7-20-8-4-14)11-18-5-6-19-12-16-17-13(19)9-18/h12,15H,2-11H2,1H3
InChIKeyOKVXVLGELYHJBB-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.50
Rot. Bonds5

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

N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 64578471) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine
PubChem CID64578471
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCn3cnnc3C2)CCOCC1
InChIInChI=1S/C14H25N5O/c1-2-15-10-14(3-7-20-8-4-14)11-18-5-6-19-12-16-17-13(19)9-18/h12,15H,2-11H2,1H3
InChIKeyOKVXVLGELYHJBB-UHFFFAOYSA-N
XLogP0.50
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine (CID 64578471) is N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine is CCNCC1(CN2CCn3cnnc3C2)CCOCC1.
What is the InChIKey of N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is OKVXVLGELYHJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-15-10-14(3-7-20-8-4-14)11-18-5-6-19-12-16-17-13(19)9-18/h12,15H,2-11H2,1H3.
What are the key properties of N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine?
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 279.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 64578471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).