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

C12H23N5 — CID 64580237

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCn2cnnc2C1
InChIInChI=1S/C12H23N5/c1-10(2)13-5-4-11(3)16-6-7-17-9-14-15-12(17)8-16/h9-11,13H,4-8H2,1-3H3
InChIKeyOUDBJVIMPFFYAT-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.87
Rot. Bonds5

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 64580237) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine
PubChem CID64580237
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCn2cnnc2C1
InChIInChI=1S/C12H23N5/c1-10(2)13-5-4-11(3)16-6-7-17-9-14-15-12(17)8-16/h9-11,13H,4-8H2,1-3H3
InChIKeyOUDBJVIMPFFYAT-UHFFFAOYSA-N
XLogP0.87
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropan-1-amine
CID 64580033
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine
CID 64579463
N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine
CID 64579846
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine
CID 64579660
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(propan-2-ylamino)butan-1-one
CID 64575033
7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 167201938
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine
CID 64576273
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile
CID 64727539
4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide
CID 66432421
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
CID 64579260
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine (CID 64580237) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)N1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is OUDBJVIMPFFYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10(2)13-5-4-11(3)16-6-7-17-9-14-15-12(17)8-16/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 64580237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).