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

C12H21N5O — CID 64580216

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CN2CCn3cnnc3C2)CCOCC1
InChIInChI=1S/C12H21N5O/c13-8-12(1-5-18-6-2-12)9-16-3-4-17-10-14-15-11(17)7-16/h10H,1-9,13H2
InChIKeyDQZKQRXIMVHIHW-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.15
Rot. Bonds3

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

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine (PubChem CID 64580216) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine
PubChem CID64580216
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CN2CCn3cnnc3C2)CCOCC1
InChIInChI=1S/C12H21N5O/c13-8-12(1-5-18-6-2-12)9-16-3-4-17-10-14-15-11(17)7-16/h10H,1-9,13H2
InChIKeyDQZKQRXIMVHIHW-UHFFFAOYSA-N
XLogP-0.15
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine (CID 64580216) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine is NCC1(CN2CCn3cnnc3C2)CCOCC1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine?
The InChIKey is DQZKQRXIMVHIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-8-12(1-5-18-6-2-12)9-16-3-4-17-10-14-15-11(17)7-16/h10H,1-9,13H2.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine has a molecular weight of 251.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 64580216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).