6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

C13H18N8 — CID 80840517

IUPAC6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NCCc2ncn(C)n2)n1
InChIInChI=1S/C13H18N8/c1-3-14-11-8-21-7-6-16-13(21)12(18-11)15-5-4-10-17-9-20(2)19-10/h6-9,14H,3-5H2,1-2H3,(H,15,18)
InChIKeyVDOSBNSNZHKMLP-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.94
Rot. Bonds6

About 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80840517) has the molecular formula C13H18N8 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80840517
Molecular FormulaC13H18N8
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NCCc2ncn(C)n2)n1
InChIInChI=1S/C13H18N8/c1-3-14-11-8-21-7-6-16-13(21)12(18-11)15-5-4-10-17-9-20(2)19-10/h6-9,14H,3-5H2,1-2H3,(H,15,18)
InChIKeyVDOSBNSNZHKMLP-UHFFFAOYSA-N
XLogP0.94
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine with MolForge

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Related Compounds

6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80852584
6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80835650
6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106412064
6-N-ethyl-8-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80791433
8-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80823604
6-N-ethyl-8-N-(2-methoxy-2-methylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 104767303
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
CID 80777733
8-N-(1-cyclopropylethyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80782305
6-N-ethyl-8-N-(2-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80760582
6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80837011
8-N-(3,4-dichlorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80768774
6-N-ethyl-8-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80789191

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80840517) is 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is CCNc1cn2ccnc2c(NCCc2ncn(C)n2)n1.
What is the InChIKey of 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is VDOSBNSNZHKMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8/c1-3-14-11-8-21-7-6-16-13(21)12(18-11)15-5-4-10-17-9-20(2)19-10/h6-9,14H,3-5H2,1-2H3,(H,15,18).
What are the key properties of 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 286.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80840517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).