2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol

C16H17N5O — CID 133477982

IUPAC2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol
SMILESOC(CNc1nccn2c(C3CC3)nnc12)c1ccccc1
InChIInChI=1S/C16H17N5O/c22-13(11-4-2-1-3-5-11)10-18-14-16-20-19-15(12-6-7-12)21(16)9-8-17-14/h1-5,8-9,12-13,22H,6-7,10H2,(H,17,18)
InChIKeyHNGSFXBAZCPUDV-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.15
Rot. Bonds5

About 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol

2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol (PubChem CID 133477982) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol
PubChem CID133477982
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol
SMILESOC(CNc1nccn2c(C3CC3)nnc12)c1ccccc1
InChIInChI=1S/C16H17N5O/c22-13(11-4-2-1-3-5-11)10-18-14-16-20-19-15(12-6-7-12)21(16)9-8-17-14/h1-5,8-9,12-13,22H,6-7,10H2,(H,17,18)
InChIKeyHNGSFXBAZCPUDV-UHFFFAOYSA-N
XLogP2.15
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol (CID 133477982) is 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol is OC(CNc1nccn2c(C3CC3)nnc12)c1ccccc1.
What is the InChIKey of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol?
The InChIKey is HNGSFXBAZCPUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-13(11-4-2-1-3-5-11)10-18-14-16-20-19-15(12-6-7-12)21(16)9-8-17-14/h1-5,8-9,12-13,22H,6-7,10H2,(H,17,18).
What are the key properties of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol?
2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol has a molecular weight of 295.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol is sourced from PubChem (CID 133477982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).