1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine

C14H19N5 — CID 174062567

IUPAC1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(N)c1cnc2c(C(C)(C)C)nccn12
InChIInChI=1S/C14H19N5/c1-14(2,3)12-13-18-9-11(10(15)5-6-16-4)19(13)8-7-17-12/h5-9H,15H2,1-4H3/b10-5?,16-6+
InChIKeyXGXJKFBLBBJGGJ-SVKOWJRDSA-N
MW257.34 g/mol
LogP2.03
Rot. Bonds2

About 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine

1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine (PubChem CID 174062567) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine
PubChem CID174062567
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(N)c1cnc2c(C(C)(C)C)nccn12
InChIInChI=1S/C14H19N5/c1-14(2,3)12-13-18-9-11(10(15)5-6-16-4)19(13)8-7-17-12/h5-9H,15H2,1-4H3/b10-5?,16-6+
InChIKeyXGXJKFBLBBJGGJ-SVKOWJRDSA-N
XLogP2.03
TPSA68.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine (CID 174062567) is 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine is C/N=C/C=C(N)c1cnc2c(C(C)(C)C)nccn12.
What is the InChIKey of 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine?
The InChIKey is XGXJKFBLBBJGGJ-SVKOWJRDSA-N. The full InChI is InChI=1S/C14H19N5/c1-14(2,3)12-13-18-9-11(10(15)5-6-16-4)19(13)8-7-17-12/h5-9H,15H2,1-4H3/b10-5?,16-6+.
What are the key properties of 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine?
1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-tert-butylimidazo[1,2-a]pyrazin-3-yl)-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 174062567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).