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

C11H21N5 — CID 64575350

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine
SMILESCNC(C)CCCN1CCn2cnnc2C1
InChIInChI=1S/C11H21N5/c1-10(12-2)4-3-5-15-6-7-16-9-13-14-11(16)8-15/h9-10,12H,3-8H2,1-2H3
InChIKeyNBTKGAVNMDTJAE-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.48
Rot. Bonds5

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

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine (PubChem CID 64575350) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine
PubChem CID64575350
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine
SMILESCNC(C)CCCN1CCn2cnnc2C1
InChIInChI=1S/C11H21N5/c1-10(12-2)4-3-5-15-6-7-16-9-13-14-11(16)8-15/h9-10,12H,3-8H2,1-2H3
InChIKeyNBTKGAVNMDTJAE-UHFFFAOYSA-N
XLogP0.48
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
CID 64576410
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,4,4-trimethylpentan-3-amine
CID 64579251
7-(5-chloropentyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64578046
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine
CID 64576855
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylpentan-1-amine
CID 64579271
N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine
CID 64577174
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methoxyethyl)propan-1-amine
CID 64576117
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-amine
CID 104682270
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64579080
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol
CID 64576094
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine
CID 64580628

Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine (CID 64575350) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine is CNC(C)CCCN1CCn2cnnc2C1.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine?
The InChIKey is NBTKGAVNMDTJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-10(12-2)4-3-5-15-6-7-16-9-13-14-11(16)8-15/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine?
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 64575350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).