2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C9H16N4 — CID 121357614

IUPAC2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc2n(n1)CCN(C(C)C)C2
InChIInChI=1S/C9H16N4/c1-7(2)12-4-5-13-9(6-12)10-8(3)11-13/h7H,4-6H2,1-3H3
InChIKeyOTVIJDNRQPQGOU-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.81
Rot. Bonds1

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

2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 121357614) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID121357614
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc2n(n1)CCN(C(C)C)C2
InChIInChI=1S/C9H16N4/c1-7(2)12-4-5-13-9(6-12)10-8(3)11-13/h7H,4-6H2,1-3H3
InChIKeyOTVIJDNRQPQGOU-UHFFFAOYSA-N
XLogP0.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 121357614) is 2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is Cc1nc2n(n1)CCN(C(C)C)C2.
What is the InChIKey of 2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is OTVIJDNRQPQGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)12-4-5-13-9(6-12)10-8(3)11-13/h7H,4-6H2,1-3H3.
What are the key properties of 2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 180.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 121357614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).