(8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C9H16N4 — CID 94502047

IUPAC(8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2n1CCN[C@H]2C
InChIInChI=1S/C9H16N4/c1-6(2)8-11-12-9-7(3)10-4-5-13(8)9/h6-7,10H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyPQTBEXHIKUVLSH-ZETCQYMHSA-N
MW180.25 g/mol
LogP1.07
Rot. Bonds1

About (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

(8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 94502047) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name(8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID94502047
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2n1CCN[C@H]2C
InChIInChI=1S/C9H16N4/c1-6(2)8-11-12-9-7(3)10-4-5-13(8)9/h6-7,10H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyPQTBEXHIKUVLSH-ZETCQYMHSA-N
XLogP1.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 94502047) is (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)c1nnc2n1CCN[C@H]2C.
What is the InChIKey of (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PQTBEXHIKUVLSH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(2)8-11-12-9-7(3)10-4-5-13(8)9/h6-7,10H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
(8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 180.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 94502047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).