3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C15H28N4 — CID 102791801

IUPAC3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCC(CC)c1nnc2n1CCNC2C(C)C
InChIInChI=1S/C15H28N4/c1-5-7-8-12(6-2)14-17-18-15-13(11(3)4)16-9-10-19(14)15/h11-13,16H,5-10H2,1-4H3
InChIKeyCIVFTEUPEOIRDO-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.26
Rot. Bonds6

About 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791801) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791801
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCC(CC)c1nnc2n1CCNC2C(C)C
InChIInChI=1S/C15H28N4/c1-5-7-8-12(6-2)14-17-18-15-13(11(3)4)16-9-10-19(14)15/h11-13,16H,5-10H2,1-4H3
InChIKeyCIVFTEUPEOIRDO-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791801) is 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCCC(CC)c1nnc2n1CCNC2C(C)C.
What is the InChIKey of 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CIVFTEUPEOIRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-7-8-12(6-2)14-17-18-15-13(11(3)4)16-9-10-19(14)15/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 264.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).