N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline

C19H28N6 — CID 134791429

IUPACN,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline
SMILESCN(C)c1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1
InChIInChI=1S/C19H28N6/c1-23(2)17-5-3-15(4-6-17)13-24-11-12-25-18(14-24)21-22-19(25)16-7-9-20-10-8-16/h3-6,16,20H,7-14H2,1-2H3
InChIKeyHQOKQRXNMAWWEQ-UHFFFAOYSA-N
MW340.48 g/mol
LogP1.83
Rot. Bonds4

About N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline

N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline (PubChem CID 134791429) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline
PubChem CID134791429
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC NameN,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline
SMILESCN(C)c1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1
InChIInChI=1S/C19H28N6/c1-23(2)17-5-3-15(4-6-17)13-24-11-12-25-18(14-24)21-22-19(25)16-7-9-20-10-8-16/h3-6,16,20H,7-14H2,1-2H3
InChIKeyHQOKQRXNMAWWEQ-UHFFFAOYSA-N
XLogP1.83
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline (CID 134791429) is N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline is CN(C)c1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline?
The InChIKey is HQOKQRXNMAWWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-23(2)17-5-3-15(4-6-17)13-24-11-12-25-18(14-24)21-22-19(25)16-7-9-20-10-8-16/h3-6,16,20H,7-14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline?
N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline has a molecular weight of 340.48 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]aniline is sourced from PubChem (CID 134791429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).