3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine

C17H31N5 — CID 29188695

IUPAC3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C17H31N5/c1-5-20(6-2)8-7-9-21-10-12-22(13-11-21)17-16(4)18-14-15(3)19-17/h14H,5-13H2,1-4H3
InChIKeyMRVRHSQJSYVULR-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.95
Rot. Bonds7

About 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine

3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine (PubChem CID 29188695) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine
PubChem CID29188695
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C17H31N5/c1-5-20(6-2)8-7-9-21-10-12-22(13-11-21)17-16(4)18-14-15(3)19-17/h14H,5-13H2,1-4H3
InChIKeyMRVRHSQJSYVULR-UHFFFAOYSA-N
XLogP1.95
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine (CID 29188695) is 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine is CCN(CC)CCCN1CCN(c2nc(C)cnc2C)CC1.
What is the InChIKey of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine?
The InChIKey is MRVRHSQJSYVULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-5-20(6-2)8-7-9-21-10-12-22(13-11-21)17-16(4)18-14-15(3)19-17/h14H,5-13H2,1-4H3.
What are the key properties of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine?
3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 29188695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).