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

C14H25N5O — CID 64576658

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine
SMILESCCCC1CC(CN)(N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C14H25N5O/c1-2-3-12-8-14(10-15,4-7-20-12)19-6-5-18-11-16-17-13(18)9-19/h11-12H,2-10,15H2,1H3
InChIKeyHBNYBGDOILYOJR-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.77
Rot. Bonds4

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

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine (PubChem CID 64576658) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine
PubChem CID64576658
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine
SMILESCCCC1CC(CN)(N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C14H25N5O/c1-2-3-12-8-14(10-15,4-7-20-12)19-6-5-18-11-16-17-13(18)9-19/h11-12H,2-10,15H2,1H3
InChIKeyHBNYBGDOILYOJR-UHFFFAOYSA-N
XLogP0.77
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine (CID 64576658) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine is CCCC1CC(CN)(N2CCn3cnnc3C2)CCO1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine?
The InChIKey is HBNYBGDOILYOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-3-12-8-14(10-15,4-7-20-12)19-6-5-18-11-16-17-13(18)9-19/h11-12H,2-10,15H2,1H3.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propyloxan-4-yl]methanamine has a molecular weight of 279.39 g/mol, XLogP of 0.77, 4 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-yl)-2-propyloxan-4-yl]methanamine is sourced from PubChem (CID 64576658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).