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

C13H21N7 — CID 164636550

IUPAC(8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2n1CCN(Cc1cn(C)nn1)[C@H]2C
InChIInChI=1S/C13H21N7/c1-9(2)12-15-16-13-10(3)19(5-6-20(12)13)8-11-7-18(4)17-14-11/h7,9-10H,5-6,8H2,1-4H3/t10-/m0/s1
InChIKeyZQEBEVHAIUEAEK-JTQLQIEISA-N
MW275.36 g/mol
LogP1.11
Rot. Bonds3

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

(8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 164636550) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is (8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name(8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID164636550
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name(8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2n1CCN(Cc1cn(C)nn1)[C@H]2C
InChIInChI=1S/C13H21N7/c1-9(2)12-15-16-13-10(3)19(5-6-20(12)13)8-11-7-18(4)17-14-11/h7,9-10H,5-6,8H2,1-4H3/t10-/m0/s1
InChIKeyZQEBEVHAIUEAEK-JTQLQIEISA-N
XLogP1.11
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of (8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 164636550) is (8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for (8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for (8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)c1nnc2n1CCN(Cc1cn(C)nn1)[C@H]2C.
What is the InChIKey of (8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZQEBEVHAIUEAEK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N7/c1-9(2)12-15-16-13-10(3)19(5-6-20(12)13)8-11-7-18(4)17-14-11/h7,9-10H,5-6,8H2,1-4H3/t10-/m0/s1.
What are the key properties of (8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
(8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 275.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 164636550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).