(8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

C14H18N4 — CID 163315099

IUPAC(8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)[C@@H]1NCCn2nc(-c3ccccc3)nc21
InChIInChI=1S/C14H18N4/c1-10(2)12-14-16-13(11-6-4-3-5-7-11)17-18(14)9-8-15-12/h3-7,10,12,15H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyNEMIWSIANLKHGJ-LBPRGKRZSA-N
MW242.33 g/mol
LogP2.25
Rot. Bonds2

About (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

(8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 163315099) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID163315099
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)[C@@H]1NCCn2nc(-c3ccccc3)nc21
InChIInChI=1S/C14H18N4/c1-10(2)12-14-16-13(11-6-4-3-5-7-11)17-18(14)9-8-15-12/h3-7,10,12,15H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyNEMIWSIANLKHGJ-LBPRGKRZSA-N
XLogP2.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine (CID 163315099) is (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine is CC(C)[C@@H]1NCCn2nc(-c3ccccc3)nc21.
What is the InChIKey of (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is NEMIWSIANLKHGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(2)12-14-16-13(11-6-4-3-5-7-11)17-18(14)9-8-15-12/h3-7,10,12,15H,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
(8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 242.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-phenyl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 163315099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).