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

C13H23N5O — CID 64575894

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C13H23N5O/c1-12(2)8-13(9-14,3-6-19-12)18-5-4-17-10-15-16-11(17)7-18/h10H,3-9,14H2,1-2H3
InChIKeyUMTLWRXBOTYCSW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.38
Rot. Bonds2

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

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine (PubChem CID 64575894) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine
PubChem CID64575894
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C13H23N5O/c1-12(2)8-13(9-14,3-6-19-12)18-5-4-17-10-15-16-11(17)7-18/h10H,3-9,14H2,1-2H3
InChIKeyUMTLWRXBOTYCSW-UHFFFAOYSA-N
XLogP0.38
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.38
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)-2,2-dimethyloxan-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine (CID 64575894) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine is CC1(C)CC(CN)(N2CCn3cnnc3C2)CCO1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine?
The InChIKey is UMTLWRXBOTYCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-12(2)8-13(9-14,3-6-19-12)18-5-4-17-10-15-16-11(17)7-18/h10H,3-9,14H2,1-2H3.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyloxan-4-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 0.38, 2 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)-2,2-dimethyloxan-4-yl]methanamine is sourced from PubChem (CID 64575894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).