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

C14H19N5O — CID 64826452

IUPAC2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol
SMILESNC(CO)(CN1CCn2cnnc2C1)c1ccccc1
InChIInChI=1S/C14H19N5O/c15-14(10-20,12-4-2-1-3-5-12)9-18-6-7-19-11-16-17-13(19)8-18/h1-5,11,20H,6-10,15H2
InChIKeyILALNVXPRGRACW-UHFFFAOYSA-N
MW273.34 g/mol
LogP-0.06
Rot. Bonds4

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

2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol (PubChem CID 64826452) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol
PubChem CID64826452
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol
SMILESNC(CO)(CN1CCn2cnnc2C1)c1ccccc1
InChIInChI=1S/C14H19N5O/c15-14(10-20,12-4-2-1-3-5-12)9-18-6-7-19-11-16-17-13(19)8-18/h1-5,11,20H,6-10,15H2
InChIKeyILALNVXPRGRACW-UHFFFAOYSA-N
XLogP-0.06
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol (CID 64826452) is 2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol is NC(CO)(CN1CCn2cnnc2C1)c1ccccc1.
What is the InChIKey of 2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol?
The InChIKey is ILALNVXPRGRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-14(10-20,12-4-2-1-3-5-12)9-18-6-7-19-11-16-17-13(19)8-18/h1-5,11,20H,6-10,15H2.
What are the key properties of 2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol?
2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol has a molecular weight of 273.34 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 64826452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).