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

C14H19N5 — CID 64580438

IUPACN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCN2CCn3cnnc3C2)cc1
InChIInChI=1S/C14H19N5/c1-12-2-4-13(5-3-12)15-6-7-18-8-9-19-11-16-17-14(19)10-18/h2-5,11,15H,6-10H2,1H3
InChIKeyITMPCILYHRQAJK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.51
Rot. Bonds4

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

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline (PubChem CID 64580438) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline
PubChem CID64580438
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCN2CCn3cnnc3C2)cc1
InChIInChI=1S/C14H19N5/c1-12-2-4-13(5-3-12)15-6-7-18-8-9-19-11-16-17-14(19)10-18/h2-5,11,15H,6-10H2,1H3
InChIKeyITMPCILYHRQAJK-UHFFFAOYSA-N
XLogP1.51
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline
CID 64579858
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
CID 64576410
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine
CID 64575346
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,4,4-trimethylpentan-3-amine
CID 64579251
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
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine
CID 64575350
1-amino-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylbutan-2-ol
CID 64819132
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)propan-2-one
CID 64577447
8-(2-fluoroethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 130686526

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline (CID 64580438) is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline is Cc1ccc(NCCN2CCn3cnnc3C2)cc1.
What is the InChIKey of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline?
The InChIKey is ITMPCILYHRQAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-12-2-4-13(5-3-12)15-6-7-18-8-9-19-11-16-17-14(19)10-18/h2-5,11,15H,6-10H2,1H3.
What are the key properties of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline?
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline has a molecular weight of 257.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 64580438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).