2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine

C12H23N5 — CID 64574761

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CC(CN)N1CCn2cnnc2C1
InChIInChI=1S/C12H23N5/c1-12(2,3)6-10(7-13)16-4-5-17-9-14-15-11(17)8-16/h9-10H,4-8,13H2,1-3H3
InChIKeyYCNHFIVDMIMFNN-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.86
Rot. Bonds3

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine (PubChem CID 64574761) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine
PubChem CID64574761
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CC(CN)N1CCn2cnnc2C1
InChIInChI=1S/C12H23N5/c1-12(2,3)6-10(7-13)16-4-5-17-9-14-15-11(17)8-16/h9-10H,4-8,13H2,1-3H3
InChIKeyYCNHFIVDMIMFNN-UHFFFAOYSA-N
XLogP0.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine (CID 64574761) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine is CC(C)(C)CC(CN)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is YCNHFIVDMIMFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-12(2,3)6-10(7-13)16-4-5-17-9-14-15-11(17)8-16/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 64574761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).