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

C15H28N6 — CID 65075832

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CCn3cnnc3C2)CC1
InChIInChI=1S/C15H28N6/c1-13(2)19-6-3-4-15(11-16,5-7-19)21-9-8-20-12-17-18-14(20)10-21/h12-13H,3-11,16H2,1-2H3
InChIKeyMKJGNWHQLUNJER-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.69
Rot. Bonds3

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

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine (PubChem CID 65075832) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine
PubChem CID65075832
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CCn3cnnc3C2)CC1
InChIInChI=1S/C15H28N6/c1-13(2)19-6-3-4-15(11-16,5-7-19)21-9-8-20-12-17-18-14(20)10-21/h12-13H,3-11,16H2,1-2H3
InChIKeyMKJGNWHQLUNJER-UHFFFAOYSA-N
XLogP0.69
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine (CID 65075832) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine is CC(C)N1CCCC(CN)(N2CCn3cnnc3C2)CC1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The InChIKey is MKJGNWHQLUNJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-13(2)19-6-3-4-15(11-16,5-7-19)21-9-8-20-12-17-18-14(20)10-21/h12-13H,3-11,16H2,1-2H3.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylazepan-4-yl]methanamine is sourced from PubChem (CID 65075832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).