N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine

C16H26N6 — CID 71847620

IUPACN-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)CC1CCN(c2cncc3nncn23)CC1
InChIInChI=1S/C16H26N6/c1-3-4-7-20(2)12-14-5-8-21(9-6-14)16-11-17-10-15-19-18-13-22(15)16/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyGGAJPLNLTNQMGX-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.07
Rot. Bonds6

About N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine

N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine (PubChem CID 71847620) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine
PubChem CID71847620
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)CC1CCN(c2cncc3nncn23)CC1
InChIInChI=1S/C16H26N6/c1-3-4-7-20(2)12-14-5-8-21(9-6-14)16-11-17-10-15-19-18-13-22(15)16/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyGGAJPLNLTNQMGX-UHFFFAOYSA-N
XLogP2.07
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine (CID 71847620) is N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine is CCCCN(C)CC1CCN(c2cncc3nncn23)CC1.
What is the InChIKey of N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine?
The InChIKey is GGAJPLNLTNQMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-3-4-7-20(2)12-14-5-8-21(9-6-14)16-11-17-10-15-19-18-13-22(15)16/h10-11,13-14H,3-9,12H2,1-2H3.
What are the key properties of N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine?
N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine has a molecular weight of 302.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 71847620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).